6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride

C101H116BrCl2N41O9 — CID 157102414

IUPAC6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)CC(C)=N3)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(N)cnc1Br
InChIInChI=1S/C32H36N12O3.C28H29N11O2.C21H23ClN8O2.C10H13N5O.C5H3BrN4.C5H11NO.ClH/c1-19-35-27-25(38-24-10-8-9-23(28(24)46-5)29-39-41-42(3)40-29)16-20(37-31(27)44(19)26-11-6-7-14-47-26)15-21-17-34-32(30(33-2)36-21)43-13-12-22(18-43)45-4;1-16-11-22-24(31-16)23(34-21-8-6-7-20(25(21)41-5)26-35-37-38(3)36-26)13-17(32-22)12-18-14-30-28(27(29-2)33-18)39-10-9-19(15-39)40-4;1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20;1-16-7-2-3-15(6-7)10-8(4-11)14-9(12)5-13-10;1-8-5-4(6)9-2-3(7)10-5;1-7-5-2-3-6-4-5;/h8-10,16-17,22,26H,6-7,11-15,18H2,1,3-5H3,(H,37,38);6-8,13-14,19H,9-12,15H2,1,3-5H3,(H,32,34);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H/t22-,26?;19-;;7-;;5-;/m11.1.1./s1
InChIKeyVOOSEYPUQCRQEH-IYIZOAFWSA-N
MW2199.13 g/mol
LogP14.35
Rot. Bonds25

About 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride

6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride (PubChem CID 157102414) has the molecular formula C101H116BrCl2N41O9 and a molecular weight of 2199.13 g/mol. Its IUPAC name is 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride
PubChem CID157102414
Molecular FormulaC101H116BrCl2N41O9
Molecular Weight2199.13 g/mol
Exact Mass2195.84
IUPAC Name6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride
SMILESCO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)CC(C)=N3)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(N)cnc1Br
InChIInChI=1S/C32H36N12O3.C28H29N11O2.C21H23ClN8O2.C10H13N5O.C5H3BrN4.C5H11NO.ClH/c1-19-35-27-25(38-24-10-8-9-23(28(24)46-5)29-39-41-42(3)40-29)16-20(37-31(27)44(19)26-11-6-7-14-47-26)15-21-17-34-32(30(33-2)36-21)43-13-12-22(18-43)45-4;1-16-11-22-24(31-16)23(34-21-8-6-7-20(25(21)41-5)26-35-37-38(3)36-26)13-17(32-22)12-18-14-30-28(27(29-2)33-18)39-10-9-19(15-39)40-4;1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20;1-16-7-2-3-15(6-7)10-8(4-11)14-9(12)5-13-10;1-8-5-4(6)9-2-3(7)10-5;1-7-5-2-3-6-4-5;/h8-10,16-17,22,26H,6-7,11-15,18H2,1,3-5H3,(H,37,38);6-8,13-14,19H,9-12,15H2,1,3-5H3,(H,32,34);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H/t22-,26?;19-;;7-;;5-;/m11.1.1./s1
InChIKeyVOOSEYPUQCRQEH-IYIZOAFWSA-N
XLogP14.35
TPSA550.41 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds25
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002199.13
LogP ≤ 514.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride with MolForge

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Related Compounds

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 134455592
6-[[2-(Difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
CID 134455675
2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)aniline;N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
CID 157231197
2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
CID 159654165
bis(5-[(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)methyl]-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine);5-[(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)methyl]-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine
CID 161461625
2-(difluoromethyl)-5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 158177583
6-[[7-[2-Methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
CID 134455564
5-chloro-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-2-(phenylmethoxymethyl)imidazo[4,5-b]pyridin-7-amine
CID 134455585
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)-5-N-(5-piperidin-1-yl-2-pyridinyl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134455607
6-[[7-[2-Methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyrazine-2-carbonitrile
CID 134455647
7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-5-N-(5-morpholin-4-yl-2-pyridinyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456378
6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-[(3S)-3-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 134456490

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride?
The IUPAC name of 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride (CID 157102414) is 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride.
What is the SMILES notation for 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride?
The canonical SMILES for 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride is CO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3c(n2)CC(C)=N3)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(N)cnc1Br.
What is the InChIKey of 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride?
The InChIKey is VOOSEYPUQCRQEH-IYIZOAFWSA-N. The full InChI is InChI=1S/C32H36N12O3.C28H29N11O2.C21H23ClN8O2.C10H13N5O.C5H3BrN4.C5H11NO.ClH/c1-19-35-27-25(38-24-10-8-9-23(28(24)46-5)29-39-41-42(3)40-29)16-20(37-31(27)44(19)26-11-6-7-14-47-26)15-21-17-34-32(30(33-2)36-21)43-13-12-22(18-43)45-4;1-16-11-22-24(31-16)23(34-21-8-6-7-20(25(21)41-5)26-35-37-38(3)36-26)13-17(32-22)12-18-14-30-28(27(29-2)33-18)39-10-9-19(15-39)40-4;1-12-23-18-15(11-16(22)25-21(18)30(12)17-9-4-5-10-32-17)24-14-8-6-7-13(19(14)31-3)20-26-28-29(2)27-20;1-16-7-2-3-15(6-7)10-8(4-11)14-9(12)5-13-10;1-8-5-4(6)9-2-3(7)10-5;1-7-5-2-3-6-4-5;/h8-10,16-17,22,26H,6-7,11-15,18H2,1,3-5H3,(H,37,38);6-8,13-14,19H,9-12,15H2,1,3-5H3,(H,32,34);6-8,11,17H,4-5,9-10H2,1-3H3,(H,24,25);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H/t22-,26?;19-;;7-;;5-;/m11.1.1./s1.
What are the key properties of 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride?
6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride has a molecular weight of 2199.13 g/mol, XLogP of 14.35, 25 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5-[[6-isocyano-5-[(3R)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-amine;(3R)-3-methoxypyrrolidine;hydrochloride is sourced from PubChem (CID 157102414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).