6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide

C25H33N7O2 — CID 155555952

IUPAC6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C)C)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C25H33N7O2/c1-16(2)10-23(33)31-9-8-30(12-18(31)4)13-21-19(5)22(14-32-24(21)27-15-28-32)29-25(34)20-7-6-17(3)26-11-20/h6-7,11,14-16,18H,8-10,12-13H2,1-5H3,(H,29,34)/t18-/m0/s1
InChIKeyJRVIUJPSGUFKLF-SFHVURJKSA-N
MW463.59 g/mol
LogP3.07
Rot. Bonds6

About 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide

6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 155555952) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID155555952
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C)C)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C25H33N7O2/c1-16(2)10-23(33)31-9-8-30(12-18(31)4)13-21-19(5)22(14-32-24(21)27-15-28-32)29-25(34)20-7-6-17(3)26-11-20/h6-7,11,14-16,18H,8-10,12-13H2,1-5H3,(H,29,34)/t18-/m0/s1
InChIKeyJRVIUJPSGUFKLF-SFHVURJKSA-N
XLogP3.07
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

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(6~{r})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480563
(6~{s})-5-(2-Methoxyethyl)-6-Methyl-2-[5-Methyl-2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
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6-cyclopropyl-N-[3-(dimethylcarbamoyl)-1-pyridin-2-ylpyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548343
4-(Azetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 71537870
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-dimethylamino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-amide
CID 71538418
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (CID 155555952) is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)CC(C)C)[C@@H](C)C3)c2C)cn1.
What is the InChIKey of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is JRVIUJPSGUFKLF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N7O2/c1-16(2)10-23(33)31-9-8-30(12-18(31)4)13-21-19(5)22(14-32-24(21)27-15-28-32)29-25(34)20-7-6-17(3)26-11-20/h6-7,11,14-16,18H,8-10,12-13H2,1-5H3,(H,29,34)/t18-/m0/s1.
What are the key properties of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(3-methylbutanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155555952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).