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

C89H89F6N23O5 — CID 161461625

IUPACbis(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
SMILESCOc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2N=C(C)C3)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C
InChIInChI=1S/2C31H32F2N8O2.C27H25F2N7O/c2*1-18-36-26-24(39-23-8-6-7-22(27(23)42-3)29-34-17-35-40(29)2)16-21(38-30(26)41(18)25-9-4-5-14-43-25)15-20-11-10-19-12-13-31(32,33)28(19)37-20;1-15-11-21-23(32-15)22(35-20-6-4-5-19(24(20)37-3)26-30-14-31-36(26)2)13-18(33-21)12-17-8-7-16-9-10-27(28,29)25(16)34-17/h2*6-8,10-11,16-17,25H,4-5,9,12-15H2,1-3H3,(H,38,39);4-8,13-14H,9-12H2,1-3H3,(H,33,35)
InChIKeyWBWVXLAOROOFLX-UHFFFAOYSA-N
MW1674.83 g/mol
LogP17.32
Rot. Bonds20

About 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

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 (PubChem CID 161461625) has the molecular formula C89H89F6N23O5 and a molecular weight of 1674.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID161461625
Molecular FormulaC89H89F6N23O5
Molecular Weight1674.83 g/mol
Exact Mass1673.73
IUPAC Namebis(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
SMILESCOc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2N=C(C)C3)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C
InChIInChI=1S/2C31H32F2N8O2.C27H25F2N7O/c2*1-18-36-26-24(39-23-8-6-7-22(27(23)42-3)29-34-17-35-40(29)2)16-21(38-30(26)41(18)25-9-4-5-14-43-25)15-20-11-10-19-12-13-31(32,33)28(19)37-20;1-15-11-21-23(32-15)22(35-20-6-4-5-19(24(20)37-3)26-30-14-31-36(26)2)13-18(33-21)12-17-8-7-16-9-10-27(28,29)25(16)34-17/h2*6-8,10-11,16-17,25H,4-5,9,12-15H2,1-3H3,(H,38,39);4-8,13-14H,9-12H2,1-3H3,(H,33,35)
InChIKeyWBWVXLAOROOFLX-UHFFFAOYSA-N
XLogP17.32
TPSA299.71 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.83
LogP ≤ 517.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Related Compounds

5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455543
2-(difluoromethyl)-5-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456543
N-[[5-(6-methylpyridin-2-yl)-4-[2-[[4-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 132035366
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
2-(difluoromethyl)-7-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-5-N-[5-(2-methoxypropan-2-yl)-6-methylpyrazin-2-yl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134455396
5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134455445
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-methylpyrazine-2-carbonitrile
CID 134455527
6-[[2-(Difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile
CID 134455577
1-[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-pyridinyl]azetidin-3-ol
CID 134455581
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-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile
CID 134455590
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-(1-methylpyrazol-3-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455646

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2N=C(C)C3)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C.COc1c(Nc2cc(Cc3ccc4c(n3)C(F)(F)CC4)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncnn1C.
What is the InChIKey of 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?
The InChIKey is WBWVXLAOROOFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32F2N8O2.C27H25F2N7O/c2*1-18-36-26-24(39-23-8-6-7-22(27(23)42-3)29-34-17-35-40(29)2)16-21(38-30(26)41(18)25-9-4-5-14-43-25)15-20-11-10-19-12-13-31(32,33)28(19)37-20;1-15-11-21-23(32-15)22(35-20-6-4-5-19(24(20)37-3)26-30-14-31-36(26)2)13-18(33-21)12-17-8-7-16-9-10-27(28,29)25(16)34-17/h2*6-8,10-11,16-17,25H,4-5,9,12-15H2,1-3H3,(H,38,39);4-8,13-14H,9-12H2,1-3H3,(H,33,35).
What are the key properties of 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?
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 has a molecular weight of 1674.83 g/mol, XLogP of 17.32, 20 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161461625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).