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

C106H121BrCl2F6N42O10 — CID 158177582

IUPAC6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride
SMILESC.CO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(N)cnc1Br
InChIInChI=1S/2C32H34F2N12O3.C21H21ClF2N8O2.C10H13N5O.C5H3BrN4.C5H11NO.CH4.ClH/c2*1-35-29-32(45-12-11-20(17-45)47-3)36-16-19(37-29)14-18-15-23(39-22-9-7-8-21(26(22)48-4)28-41-43-44(2)42-28)25-30(38-18)46(31(40-25)27(33)34)24-10-5-6-13-49-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;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;;/h2*7-9,15-16,20,24,27H,5-6,10-14,17H2,2-4H3,(H,38,39);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H4;1H/t2*20-,24?;;7-;;5-;;/m11.1.1../s1
InChIKeySGZNQNNNZVJSAQ-NNIWBMSXSA-N
MW2408.22 g/mol
LogP17.58
Rot. Bonds29

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

6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride (PubChem CID 158177582) has the molecular formula C106H121BrCl2F6N42O10 and a molecular weight of 2408.22 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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride
PubChem CID158177582
Molecular FormulaC106H121BrCl2F6N42O10
Molecular Weight2408.22 g/mol
Exact Mass2404.87
IUPAC Name6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride
SMILESC.CO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(N)cnc1Br
InChIInChI=1S/2C32H34F2N12O3.C21H21ClF2N8O2.C10H13N5O.C5H3BrN4.C5H11NO.CH4.ClH/c2*1-35-29-32(45-12-11-20(17-45)47-3)36-16-19(37-29)14-18-15-23(39-22-9-7-8-21(26(22)48-4)28-41-43-44(2)42-28)25-30(38-18)46(31(40-25)27(33)34)24-10-5-6-13-49-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;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;;/h2*7-9,15-16,20,24,27H,5-6,10-14,17H2,2-4H3,(H,38,39);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H4;1H/t2*20-,24?;;7-;;5-;;/m11.1.1../s1
InChIKeySGZNQNNNZVJSAQ-NNIWBMSXSA-N
XLogP17.58
TPSA565.10 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds29
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002408.22
LogP ≤ 517.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride with MolForge

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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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride (CID 158177582) is 6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride is C.CO[C@@H]1CCN(c2ncc(N)nc2C#N)C1.CO[C@@H]1CCNC1.COc1c(Nc2cc(Cl)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.Cl.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)n(C4CCCCO4)c3n2)cnc1N1CC[C@@H](OC)C1.[C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C(F)F)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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride?
The InChIKey is SGZNQNNNZVJSAQ-NNIWBMSXSA-N. The full InChI is InChI=1S/2C32H34F2N12O3.C21H21ClF2N8O2.C10H13N5O.C5H3BrN4.C5H11NO.CH4.ClH/c2*1-35-29-32(45-12-11-20(17-45)47-3)36-16-19(37-29)14-18-15-23(39-22-9-7-8-21(26(22)48-4)28-41-43-44(2)42-28)25-30(38-18)46(31(40-25)27(33)34)24-10-5-6-13-49-24;1-31-29-19(28-30-31)11-6-5-7-12(17(11)33-2)25-13-10-14(22)26-20-16(13)27-21(18(23)24)32(20)15-8-3-4-9-34-15;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;;/h2*7-9,15-16,20,24,27H,5-6,10-14,17H2,2-4H3,(H,38,39);5-7,10,15,18H,3-4,8-9H2,1-2H3,(H,25,26);5,7H,2-3,6H2,1H3,(H2,12,14);2H,(H2,7,10);5-6H,2-4H2,1H3;1H4;1H/t2*20-,24?;;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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride?
6-amino-3-[(3R)-3-methoxypyrrolidin-1-yl]pyrazine-2-carbonitrile;5-bromo-6-isocyanopyrazin-2-amine;5-chloro-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride has a molecular weight of 2408.22 g/mol, XLogP of 17.58, 29 rotatable bonds, 6 hydrogen bond donors, and 49 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-2-(difluoromethyl)-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;bis(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);methane;(3R)-3-methoxypyrrolidine;hydrochloride is sourced from PubChem (CID 158177582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).