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

C25H23F2N9O2 — CID 134456543

IUPAC2-(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
SMILESCOc1c(Nc2cc(Nc3ccc4c(n3)CCOC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C25H23F2N9O2/c1-36-25(28-12-29-36)14-4-3-5-16(21(14)37-2)30-17-10-19(33-23-20(17)34-24(35-23)22(26)27)32-18-7-6-13-11-38-9-8-15(13)31-18/h3-7,10,12,22H,8-9,11H2,1-2H3,(H3,30,31,32,33,34,35)
InChIKeyIMNSKWNJWJJISA-UHFFFAOYSA-N
MW519.52 g/mol
LogP4.65
Rot. Bonds7

About 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

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 (PubChem CID 134456543) has the molecular formula C25H23F2N9O2 and a molecular weight of 519.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID134456543
Molecular FormulaC25H23F2N9O2
Molecular Weight519.52 g/mol
Exact Mass519.19
IUPAC Name2-(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
SMILESCOc1c(Nc2cc(Nc3ccc4c(n3)CCOC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C25H23F2N9O2/c1-36-25(28-12-29-36)14-4-3-5-16(21(14)37-2)30-17-10-19(33-23-20(17)34-24(35-23)22(26)27)32-18-7-6-13-11-38-9-8-15(13)31-18/h3-7,10,12,22H,8-9,11H2,1-2H3,(H3,30,31,32,33,34,35)
InChIKeyIMNSKWNJWJJISA-UHFFFAOYSA-N
XLogP4.65
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-(2-methoxybenzyl)-1H-benzo[d]imidazol-6-yl)-1-((trans)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218687
2-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766778
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 54767085
US10172858, Table 2.63
CID 136088593
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(1,2,4-triazol-1-yl)ethoxy]-1,5-naphthyridin-4-amine
CID 57691188
5-N-(5-fluoro-4-methyl-2-pyridinyl)-7-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455406
6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltriazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455487
N-[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455535
N-[2-(difluoromethyl)-7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455538
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
5-N-(7,7-difluoro-5,6-dihydrocyclopenta[b]pyridin-2-yl)-7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455544
6-[[2-(difluoromethyl)-7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455555

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(Nc2cc(Nc3ccc4c(n3)CCOC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C.
What is the InChIKey of 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?
The InChIKey is IMNSKWNJWJJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N9O2/c1-36-25(28-12-29-36)14-4-3-5-16(21(14)37-2)30-17-10-19(33-23-20(17)34-24(35-23)22(26)27)32-18-7-6-13-11-38-9-8-15(13)31-18/h3-7,10,12,22H,8-9,11H2,1-2H3,(H3,30,31,32,33,34,35).
What are the key properties of 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?
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 has a molecular weight of 519.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134456543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).