5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine

C88H98ClF6N15O11S3 — CID 158156461

IUPAC5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
SMILESCS(=O)(=O)c1cc(C2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.Cc1cccc(N)n1
InChIInChI=1S/C31H35F2N5O4S.C27H28F2N4O3S.C24H27ClF2N4O4S.C6H8N2/c1-19-8-7-9-21(34-19)17-22-18-24(28-30(35-22)38(31(37-28)29(32)33)27-11-4-6-15-42-27)36-23-13-12-20(16-26(23)43(2,39)40)25-10-3-5-14-41-25;1-16-6-5-7-18(30-16)13-19-14-21(26-22(31-19)15-23(33-26)27(28)29)32-20-10-9-17(12-25(20)37(2,34)35)24-8-3-4-11-36-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;1-5-3-2-4-6(7)8-5/h7-9,12-13,16,18,25,27,29H,3-6,10-11,14-15,17H2,1-2H3,(H,35,36);5-7,9-10,12,14,24,27H,3-4,8,11,13,15H2,1-2H3,(H,31,32);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);2-4H,1H3,(H2,7,8)
InChIKeyFVTCNNSKENVCFQ-UHFFFAOYSA-N
MW1787.49 g/mol
LogP19.49
Rot. Bonds21

About 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine

5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine (PubChem CID 158156461) has the molecular formula C88H98ClF6N15O11S3 and a molecular weight of 1787.49 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
PubChem CID158156461
Molecular FormulaC88H98ClF6N15O11S3
Molecular Weight1787.49 g/mol
Exact Mass1785.63
IUPAC Name5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine
SMILESCS(=O)(=O)c1cc(C2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.Cc1cccc(N)n1
InChIInChI=1S/C31H35F2N5O4S.C27H28F2N4O3S.C24H27ClF2N4O4S.C6H8N2/c1-19-8-7-9-21(34-19)17-22-18-24(28-30(35-22)38(31(37-28)29(32)33)27-11-4-6-15-42-27)36-23-13-12-20(16-26(23)43(2,39)40)25-10-3-5-14-41-25;1-16-6-5-7-18(30-16)13-19-14-21(26-22(31-19)15-23(33-26)27(28)29)32-20-10-9-17(12-25(20)37(2,34)35)24-8-3-4-11-36-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;1-5-3-2-4-6(7)8-5/h7-9,12-13,16,18,25,27,29H,3-6,10-11,14-15,17H2,1-2H3,(H,35,36);5-7,9-10,12,14,24,27H,3-4,8,11,13,15H2,1-2H3,(H,31,32);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);2-4H,1H3,(H2,7,8)
InChIKeyFVTCNNSKENVCFQ-UHFFFAOYSA-N
XLogP19.49
TPSA336.02 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.49
LogP ≤ 519.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine (CID 158156461) is 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine is CS(=O)(=O)c1cc(C2CCCCO2)ccc1Nc1cc(Cl)nc2c1nc(C(F)F)n2C1CCCCO1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3c(n2)CC(C(F)F)=N3)n1.Cc1cccc(Cc2cc(Nc3ccc(C4CCCCO4)cc3S(C)(=O)=O)c3nc(C(F)F)n(C4CCCCO4)c3n2)n1.Cc1cccc(N)n1.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?
The InChIKey is FVTCNNSKENVCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N5O4S.C27H28F2N4O3S.C24H27ClF2N4O4S.C6H8N2/c1-19-8-7-9-21(34-19)17-22-18-24(28-30(35-22)38(31(37-28)29(32)33)27-11-4-6-15-42-27)36-23-13-12-20(16-26(23)43(2,39)40)25-10-3-5-14-41-25;1-16-6-5-7-18(30-16)13-19-14-21(26-22(31-19)15-23(33-26)27(28)29)32-20-10-9-17(12-25(20)37(2,34)35)24-8-3-4-11-36-24;1-36(32,33)18-12-14(17-6-2-4-10-34-17)8-9-15(18)28-16-13-19(25)29-23-21(16)30-24(22(26)27)31(23)20-7-3-5-11-35-20;1-5-3-2-4-6(7)8-5/h7-9,12-13,16,18,25,27,29H,3-6,10-11,14-15,17H2,1-2H3,(H,35,36);5-7,9-10,12,14,24,27H,3-4,8,11,13,15H2,1-2H3,(H,31,32);8-9,12-13,17,20,22H,2-7,10-11H2,1H3,(H,28,29);2-4H,1H3,(H2,7,8).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine?
5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine has a molecular weight of 1787.49 g/mol, XLogP of 19.49, 21 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;2-(difluoromethyl)-5-[(6-methyl-2-pyridinyl)methyl]-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3H-pyrrolo[3,2-b]pyridin-7-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 158156461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).