4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide

C147H170N36O5 — CID 160829012

IUPAC4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
SMILES[H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CCC3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N
InChIInChI=1S/3C37H43N9O.C36H41N9O2/c3*1-25-20-30(10-15-42-25)34(39)32-21-31(8-9-33(32)38)46-19-14-37(36(46)47)13-18-44(23-37)22-26(2)45-16-11-28(12-17-45)27-4-6-29(7-5-27)35(40)43-24-41-3;1-24-3-4-28(20-41-24)33(38)30-19-29(9-10-31(30)37)45-18-14-36(35(45)47)13-17-43(22-36)21-32(46)44-15-11-26(12-16-44)25-5-7-27(8-6-25)34(39)42-23-40-2/h3*4-11,15,20-21,24,39H,2,12-14,16-19,22-23,38H2,1,3H3,(H2,40,41,43);3-11,19-20,23,38H,12-18,21-22,37H2,1-2H3,(H2,39,40,42)/b3*39-34+;38-33+/t2*37-;;/m10../s1
InChIKeySGNZJKUKQZOJHQ-GEQUEMOKSA-N
MW2521.22 g/mol
LogP16.95
Rot. Bonds35

About 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide

4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (PubChem CID 160829012) has the molecular formula C147H170N36O5 and a molecular weight of 2521.22 g/mol. Its IUPAC name is 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
PubChem CID160829012
Molecular FormulaC147H170N36O5
Molecular Weight2521.22 g/mol
Exact Mass2519.42
IUPAC Name4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
SMILES[H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CCC3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N
InChIInChI=1S/3C37H43N9O.C36H41N9O2/c3*1-25-20-30(10-15-42-25)34(39)32-21-31(8-9-33(32)38)46-19-14-37(36(46)47)13-18-44(23-37)22-26(2)45-16-11-28(12-17-45)27-4-6-29(7-5-27)35(40)43-24-41-3;1-24-3-4-28(20-41-24)33(38)30-19-29(9-10-31(30)37)45-18-14-36(35(45)47)13-17-43(22-36)21-32(46)44-15-11-26(12-16-44)25-5-7-27(8-6-25)34(39)42-23-40-2/h3*4-11,15,20-21,24,39H,2,12-14,16-19,22-23,38H2,1,3H3,(H2,40,41,43);3-11,19-20,23,38H,12-18,21-22,37H2,1-2H3,(H2,39,40,42)/b3*39-34+;38-33+/t2*37-;;/m10../s1
InChIKeySGNZJKUKQZOJHQ-GEQUEMOKSA-N
XLogP16.95
TPSA578.23 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms188
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.22
LogP ≤ 516.95
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The IUPAC name of 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide (CID 160829012) is 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The canonical SMILES for 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is [H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC(=O)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CCC3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.[H]/N=C(\c1ccnc(C)c1)c1cc(N2CC[C@]3(CCN(CC(=C)N4CC=C(c5ccc(/C(N)=N/C=N/C)cc5)CC4)C3)C2=O)ccc1N.
What is the InChIKey of 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
The InChIKey is SGNZJKUKQZOJHQ-GEQUEMOKSA-N. The full InChI is InChI=1S/3C37H43N9O.C36H41N9O2/c3*1-25-20-30(10-15-42-25)34(39)32-21-31(8-9-33(32)38)46-19-14-37(36(46)47)13-18-44(23-37)22-26(2)45-16-11-28(12-17-45)27-4-6-29(7-5-27)35(40)43-24-41-3;1-24-3-4-28(20-41-24)33(38)30-19-29(9-10-31(30)37)45-18-14-36(35(45)47)13-17-43(22-36)21-32(46)44-15-11-26(12-16-44)25-5-7-27(8-6-25)34(39)42-23-40-2/h3*4-11,15,20-21,24,39H,2,12-14,16-19,22-23,38H2,1,3H3,(H2,40,41,43);3-11,19-20,23,38H,12-18,21-22,37H2,1-2H3,(H2,39,40,42)/b3*39-34+;38-33+/t2*37-;;/m10../s1.
What are the key properties of 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide?
4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide has a molecular weight of 2521.22 g/mol, XLogP of 16.95, 35 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide is sourced from PubChem (CID 160829012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).