1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine

C26H25F2N9 — CID 164850538

IUPAC1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCn1ncc([C@H]2CCCN(c3cnc(-c4ccc(F)c(F)c4)cc3Cn3cnc4c(N)nccc43)C2)n1
InChIInChI=1S/C26H25F2N9/c1-35-33-11-22(34-35)17-3-2-8-36(13-17)24-12-31-21(16-4-5-19(27)20(28)9-16)10-18(24)14-37-15-32-25-23(37)6-7-30-26(25)29/h4-7,9-12,15,17H,2-3,8,13-14H2,1H3,(H2,29,30)/t17-/m0/s1
InChIKeyJQQQSMNMDBQWRG-KRWDZBQOSA-N
MW501.55 g/mol
LogP3.91
Rot. Bonds5

About 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine

1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine (PubChem CID 164850538) has the molecular formula C26H25F2N9 and a molecular weight of 501.55 g/mol. Its IUPAC name is 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
PubChem CID164850538
Molecular FormulaC26H25F2N9
Molecular Weight501.55 g/mol
Exact Mass501.22
IUPAC Name1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCn1ncc([C@H]2CCCN(c3cnc(-c4ccc(F)c(F)c4)cc3Cn3cnc4c(N)nccc43)C2)n1
InChIInChI=1S/C26H25F2N9/c1-35-33-11-22(34-35)17-3-2-8-36(13-17)24-12-31-21(16-4-5-19(27)20(28)9-16)10-18(24)14-37-15-32-25-23(37)6-7-30-26(25)29/h4-7,9-12,15,17H,2-3,8,13-14H2,1H3,(H2,29,30)/t17-/m0/s1
InChIKeyJQQQSMNMDBQWRG-KRWDZBQOSA-N
XLogP3.91
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine with MolForge

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Related Compounds

9-[[5-[(3R)-3-amino-3-methylpiperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167180587
9-[[5-[(3R)-3-amino-2-(2,2-difluoroethoxymethyl)piperidin-1-yl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 167289124
3-[[5-(3-aminopyrrolidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 176553504
1-[[5-[(3R)-3-amino-3-(6-chloro-2-pyridinyl)piperidin-1-yl]-2-(2,5-difluoro-4-methoxyphenyl)-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine
CID 176759119
9-[[5-[(3R)-3-amino-3-(6-chloro-3-fluoro-2-pyridinyl)cyclohexyl]-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]purin-6-amine
CID 164850542
tert-butyl N-[9-[[2-(3-fluoro-4-methoxyphenyl)-5-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 156637858
9-[[3-(3-aminopiperidin-1-yl)-4-pyridinyl]methyl]purin-6-amine
CID 175788389
(1S)-1-[(3R)-3-amino-1-[2-[(6-aminopurin-9-yl)methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]piperidin-3-yl]-2,2-difluoroethanol
CID 170601042
[4-[5-[(3S)-3-amino-3-(2,2-difluoroethyl)piperidin-1-yl]-4-[(6-aminopurin-9-yl)methyl]-2-pyridinyl]-2-fluorophenoxy]methyl morpholine-4-carboxylate
CID 176591491
3-[[5-(3-amino-3-pyridin-2-ylpiperidin-1-yl)-2-(3,4-difluorophenyl)-4-pyridinyl]methyl]imidazo[1,2-a]pyrazin-8-amine
CID 174280872
methyl N-[1-[4-[(2-tert-butyl-6-carbamoyloxypurin-9-yl)methyl]-6-(3,4-difluorophenyl)-3-pyridinyl]-3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 175241140
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine (CID 164850538) is 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine is Cn1ncc([C@H]2CCCN(c3cnc(-c4ccc(F)c(F)c4)cc3Cn3cnc4c(N)nccc43)C2)n1.
What is the InChIKey of 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine?
The InChIKey is JQQQSMNMDBQWRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H25F2N9/c1-35-33-11-22(34-35)17-3-2-8-36(13-17)24-12-31-21(16-4-5-19(27)20(28)9-16)10-18(24)14-37-15-32-25-23(37)6-7-30-26(25)29/h4-7,9-12,15,17H,2-3,8,13-14H2,1H3,(H2,29,30)/t17-/m0/s1.
What are the key properties of 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine?
1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine has a molecular weight of 501.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-difluorophenyl)-5-[(3S)-3-(2-methyltriazol-4-yl)piperidin-1-yl]-4-pyridinyl]methyl]imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 164850538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).