6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C24H24F2N6O2 — CID 146501259

IUPAC6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCn1ccc(-c2cc(F)c(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncnn4c3)c(F)c2)n1
InChIInChI=1S/C24H24F2N6O2/c1-31-7-6-20(30-31)15-10-18(25)16(19(26)11-15)8-14-9-17(23-27-13-28-32(23)12-14)24(34)29-21-4-2-3-5-22(21)33/h6-7,9-13,21-22,33H,2-5,8H2,1H3,(H,29,34)/t21-,22-/m0/s1
InChIKeyQKJJHVDXXJFKOS-VXKWHMMOSA-N
MW466.49 g/mol
LogP3.03
Rot. Bonds5

About 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 146501259) has the molecular formula C24H24F2N6O2 and a molecular weight of 466.49 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID146501259
Molecular FormulaC24H24F2N6O2
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Name6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCn1ccc(-c2cc(F)c(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncnn4c3)c(F)c2)n1
InChIInChI=1S/C24H24F2N6O2/c1-31-7-6-20(30-31)15-10-18(25)16(19(26)11-15)8-14-9-17(23-27-13-28-32(23)12-14)24(34)29-21-4-2-3-5-22(21)33/h6-7,9-13,21-22,33H,2-5,8H2,1H3,(H,29,34)/t21-,22-/m0/s1
InChIKeyQKJJHVDXXJFKOS-VXKWHMMOSA-N
XLogP3.03
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide with MolForge

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Related Compounds

6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501201
6-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]imidazo[1,2-a]pyridine-8-carboxamide
CID 146501248
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 104927400
5-[[2-fluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-3-methyl-4-oxoimidazo[4,5-c]pyridine-7-carboxamide
CID 162772152
N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 146624273
N-[(1S,2S)-2-hydroxycyclopentyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 153160749
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150560056
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
6-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-5-oxoimidazo[1,2-c]pyrimidine-8-carboxamide
CID 162772236
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 137404563
N-[(1S,2S)-2-hydroxycyclobutyl]-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-1,3-benzodioxole-4-carboxamide
CID 148695470

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 146501259) is 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is Cn1ccc(-c2cc(F)c(Cc3cc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncnn4c3)c(F)c2)n1.
What is the InChIKey of 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is QKJJHVDXXJFKOS-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H24F2N6O2/c1-31-7-6-20(30-31)15-10-18(25)16(19(26)11-15)8-14-9-17(23-27-13-28-32(23)12-14)24(34)29-21-4-2-3-5-22(21)33/h6-7,9-13,21-22,33H,2-5,8H2,1H3,(H,29,34)/t21-,22-/m0/s1.
What are the key properties of 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,6-difluoro-4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 146501259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).