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

C25H23F2N9O — CID 134455543

IUPAC5-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
SMILESCOc1c(Nc2cc(Nc3ccc4c(n3)C(F)(F)CC4)nc3nc(C)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C25H23F2N9O/c1-13-30-20-17(32-16-6-4-5-15(21(16)37-3)24-28-12-29-36(24)2)11-19(35-23(20)31-13)33-18-8-7-14-9-10-25(26,27)22(14)34-18/h4-8,11-12H,9-10H2,1-3H3,(H3,30,31,32,33,34,35)
InChIKeyQJQPBQGWJZKCRA-UHFFFAOYSA-N
MW503.52 g/mol
LogP4.99
Rot. Bonds6

About 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

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 (PubChem CID 134455543) has the molecular formula C25H23F2N9O and a molecular weight of 503.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID134455543
Molecular FormulaC25H23F2N9O
Molecular Weight503.52 g/mol
Exact Mass503.20
IUPAC Name5-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
SMILESCOc1c(Nc2cc(Nc3ccc4c(n3)C(F)(F)CC4)nc3nc(C)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C25H23F2N9O/c1-13-30-20-17(32-16-6-4-5-15(21(16)37-3)24-28-12-29-36(24)2)11-19(35-23(20)31-13)33-18-8-7-14-9-10-25(26,27)22(14)34-18/h4-8,11-12H,9-10H2,1-3H3,(H3,30,31,32,33,34,35)
InChIKeyQJQPBQGWJZKCRA-UHFFFAOYSA-N
XLogP4.99
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(Nc2cc(Nc3ccc4c(n3)C(F)(F)CC4)nc3nc(C)[nH]c23)cccc1-c1ncnn1C.
What is the InChIKey of 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?
The InChIKey is QJQPBQGWJZKCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O/c1-13-30-20-17(32-16-6-4-5-15(21(16)37-3)24-28-12-29-36(24)2)11-19(35-23(20)31-13)33-18-8-7-14-9-10-25(26,27)22(14)34-18/h4-8,11-12H,9-10H2,1-3H3,(H3,30,31,32,33,34,35).
What are the key properties of 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?
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 has a molecular weight of 503.52 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134455543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).