2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C24H22F2N10O — CID 134456147

IUPAC2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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(Nc3cc4c(nn3)CCC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C24H22F2N10O/c1-36-24(27-11-28-36)13-6-4-8-15(20(13)37-2)29-16-10-17(31-22-19(16)32-23(33-22)21(25)26)30-18-9-12-5-3-7-14(12)34-35-18/h4,6,8-11,21H,3,5,7H2,1-2H3,(H3,29,30,31,32,33,35)
InChIKeyIGSRDSQCDLVMCZ-UHFFFAOYSA-N
MW504.51 g/mol
LogP4.47
Rot. Bonds7

About 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 134456147) has the molecular formula C24H22F2N10O and a molecular weight of 504.51 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 CID134456147
Molecular FormulaC24H22F2N10O
Molecular Weight504.51 g/mol
Exact Mass504.19
IUPAC Name2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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(Nc3cc4c(nn3)CCC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C
InChIInChI=1S/C24H22F2N10O/c1-36-24(27-11-28-36)13-6-4-8-15(20(13)37-2)29-16-10-17(31-22-19(16)32-23(33-22)21(25)26)30-18-9-12-5-3-7-14(12)34-35-18/h4,6,8-11,21H,3,5,7H2,1-2H3,(H3,29,30,31,32,33,35)
InChIKeyIGSRDSQCDLVMCZ-UHFFFAOYSA-N
XLogP4.47
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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

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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
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218688
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-{4-[4-(3-methoxypropyl)piperazin-1-yl]cyclohexyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 25218692
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
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
4-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 54766931
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
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-(trifluoromethoxy)aniline
CID 54767086
N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-(trifluoromethoxy)aniline
CID 54767087
US10138245, Example 41
CID 118525773
2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 129051764
US10172858, Table 2.63
CID 136088593

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 134456147) is 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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(Nc3cc4c(nn3)CCC4)nc3nc(C(F)F)[nH]c23)cccc1-c1ncnn1C.
What is the InChIKey of 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 IGSRDSQCDLVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N10O/c1-36-24(27-11-28-36)13-6-4-8-15(20(13)37-2)29-16-10-17(31-22-19(16)32-23(33-22)21(25)26)30-18-9-12-5-3-7-14(12)34-35-18/h4,6,8-11,21H,3,5,7H2,1-2H3,(H3,29,30,31,32,33,35).
What are the key properties of 2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 504.51 g/mol, XLogP of 4.47, 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-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-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 134456147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).