4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide

C151H180N38O13 — CID 161236513

IUPAC4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\c1ccc(OC(C)C)c(OC)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cn5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)nc5)CC4)C3)C2=O)ccc1N
InChIInChI=1S/C39H47N9O4.C38H45N9O3.2C37H44N10O3/c1-25(2)52-31-11-9-29(21-32(31)51-4)35(41)36-30(40)10-12-33(45-36)48-20-16-39(38(48)50)15-19-46(23-39)22-34(49)47-17-13-27(14-18-47)26-5-7-28(8-6-26)37(42)44-24-43-3;1-25(2)50-30-10-8-28(9-11-30)34(40)35-31(39)12-13-32(44-35)47-21-17-38(37(47)49)16-20-45(23-38)22-33(48)46-18-14-27(15-19-46)26-4-6-29(7-5-26)36(41)43-24-42-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)30-10-6-27(20-42-30)35(40)43-23-41-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)27-6-10-30(42-20-27)35(40)43-23-41-3/h5-13,21,24-25,41H,14-20,22-23,40H2,1-4H3,(H2,42,43,44);4-14,24-25,40H,15-23,39H2,1-3H3,(H2,41,42,43);2*4-12,20,23-24,39H,13-19,21-22,38H2,1-3H3,(H2,40,41,43)/b41-35+;40-34+;2*39-33+/t39-;38-;2*37-/m0000/s1
InChIKeyUZLBDKIGVWPAAZ-UZYDALRSSA-N
MW2735.35 g/mol
LogP14.70
Rot. Bonds41

About 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide

4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide (PubChem CID 161236513) has the molecular formula C151H180N38O13 and a molecular weight of 2735.35 g/mol. Its IUPAC name is 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide
PubChem CID161236513
Molecular FormulaC151H180N38O13
Molecular Weight2735.35 g/mol
Exact Mass2733.46
IUPAC Name4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\c1ccc(OC(C)C)c(OC)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cn5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)nc5)CC4)C3)C2=O)ccc1N
InChIInChI=1S/C39H47N9O4.C38H45N9O3.2C37H44N10O3/c1-25(2)52-31-11-9-29(21-32(31)51-4)35(41)36-30(40)10-12-33(45-36)48-20-16-39(38(48)50)15-19-46(23-39)22-34(49)47-17-13-27(14-18-47)26-5-7-28(8-6-26)37(42)44-24-43-3;1-25(2)50-30-10-8-28(9-11-30)34(40)35-31(39)12-13-32(44-35)47-21-17-38(37(47)49)16-20-45(23-38)22-33(48)46-18-14-27(15-19-46)26-4-6-29(7-5-26)36(41)43-24-42-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)30-10-6-27(20-42-30)35(40)43-23-41-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)27-6-10-30(42-20-27)35(40)43-23-41-3/h5-13,21,24-25,41H,14-20,22-23,40H2,1-4H3,(H2,42,43,44);4-14,24-25,40H,15-23,39H2,1-3H3,(H2,41,42,43);2*4-12,20,23-24,39H,13-19,21-22,38H2,1-3H3,(H2,40,41,43)/b41-35+;40-34+;2*39-33+/t39-;38-;2*37-/m0000/s1
InChIKeyUZLBDKIGVWPAAZ-UZYDALRSSA-N
XLogP14.70
TPSA701.37 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.35
LogP ≤ 514.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

US10934304, Example 92
CID 154586827
2-[[6-[3-[4-(1,1-Difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;1-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-b]pyridine;7-[(3,4-dimethoxyphenyl)methyl]-4-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine;methyl 2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetate
CID 157507223
4-[1-[2-[(5S)-2-[4-amino-3-(4-ethynylbenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(4-methoxybenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(6-methylpyridine-3-carboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-[6-(trifluoromethyl)pyridine-3-carboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 157516662
CID 160929415
CID 160929415
4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(oxolan-2-ylmethoxy)phenyl]ethyl]pyrimidine;2-[[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]amino]-4,4-dimethylpentanamide;4-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]piperazin-2-one;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]piperidine-3-carboxamide;N-[[6-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]-5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 161935158
4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 148335853
5-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide
CID 156288513
7-Anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-ethylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;7-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;7-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;7-(2,5-dioxopyrrolidin-1-yl)-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;methane
CID 157445782
bis((5S)-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[7-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one);(5S)-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2-[7-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 157465020
7-Anilino-1-(2,2-dimethylpropyl)-3-methyl-6-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;7-anilino-6-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyrimidine-2,4-dione;7-anilino-3-methyl-1-(2-methylpropyl)-6-[[4-(6-methyl-2-pyridinyl)phenyl]methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;5-anilino-3-methyl-1-(2-methylpropyl)-6-[(4-pyridin-2-ylphenyl)methyl]pyrrolo[3,4-d]pyrimidine-2,4-dione;methane
CID 157510315
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-pyridin-2-ylpyrrolidine-3-carboxamide;methyl 1-pyridin-2-ylpyrrolidine-3-carboxylate;methyl pyrrolidine-3-carboxylate;1-pyridin-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
CID 158034922
4-[1-[2-[(5S)-2-[5-amino-6-(3-fluoro-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[4-amino-3-(5-fluoro-6-pyrrolidin-1-ylpyridine-2-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 158097155

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide?
The IUPAC name of 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide (CID 161236513) is 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide?
The canonical SMILES for 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide is [H]/N=C(\c1ccc(OC(C)C)c(OC)c1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cn5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccc(OC(C)C)cc1)c1nc(N2CC[C@]3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)nc5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide?
The InChIKey is UZLBDKIGVWPAAZ-UZYDALRSSA-N. The full InChI is InChI=1S/C39H47N9O4.C38H45N9O3.2C37H44N10O3/c1-25(2)52-31-11-9-29(21-32(31)51-4)35(41)36-30(40)10-12-33(45-36)48-20-16-39(38(48)50)15-19-46(23-39)22-34(49)47-17-13-27(14-18-47)26-5-7-28(8-6-26)37(42)44-24-43-3;1-25(2)50-30-10-8-28(9-11-30)34(40)35-31(39)12-13-32(44-35)47-21-17-38(37(47)49)16-20-45(23-38)22-33(48)46-18-14-27(15-19-46)26-4-6-29(7-5-26)36(41)43-24-42-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)30-10-6-27(20-42-30)35(40)43-23-41-3;1-24(2)50-28-7-4-26(5-8-28)33(39)34-29(38)9-11-31(44-34)47-19-15-37(36(47)49)14-18-45(22-37)21-32(48)46-16-12-25(13-17-46)27-6-10-30(42-20-27)35(40)43-23-41-3/h5-13,21,24-25,41H,14-20,22-23,40H2,1-4H3,(H2,42,43,44);4-14,24-25,40H,15-23,39H2,1-3H3,(H2,41,42,43);2*4-12,20,23-24,39H,13-19,21-22,38H2,1-3H3,(H2,40,41,43)/b41-35+;40-34+;2*39-33+/t39-;38-;2*37-/m0000/s1.
What are the key properties of 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide?
4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide has a molecular weight of 2735.35 g/mol, XLogP of 14.70, 41 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[(5S)-2-[5-amino-6-(3-methoxy-4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;5-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-2-carboximidamide;6-[1-[2-[(5S)-2-[5-amino-6-(4-propan-2-yloxybenzenecarboximidoyl)-2-pyridinyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 161236513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).