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

C24H31N7O2 — CID 155536039

IUPAC6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C(C)C)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C24H31N7O2/c1-15(2)24(33)30-9-8-29(11-17(30)4)12-20-18(5)21(13-31-22(20)26-14-27-31)28-23(32)19-7-6-16(3)25-10-19/h6-7,10,13-15,17H,8-9,11-12H2,1-5H3,(H,28,32)/t17-/m0/s1
InChIKeyXASNYYACCAXSOV-KRWDZBQOSA-N
MW449.56 g/mol
LogP2.68
Rot. Bonds5

About 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (PubChem CID 155536039) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
PubChem CID155536039
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cn3ncnc3c(CN3CCN(C(=O)C(C)C)[C@@H](C)C3)c2C)cn1
InChIInChI=1S/C24H31N7O2/c1-15(2)24(33)30-9-8-29(11-17(30)4)12-20-18(5)21(13-31-22(20)26-14-27-31)28-23(32)19-7-6-16(3)25-10-19/h6-7,10,13-15,17H,8-9,11-12H2,1-5H3,(H,28,32)/t17-/m0/s1
InChIKeyXASNYYACCAXSOV-KRWDZBQOSA-N
XLogP2.68
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide (CID 155536039) is 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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-(2-methylpropanoyl)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-(2-methylpropanoyl)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)C(C)C)[C@@H](C)C3)c2C)cn1.
What is the InChIKey of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide?
The InChIKey is XASNYYACCAXSOV-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-15(2)24(33)30-9-8-29(11-17(30)4)12-20-18(5)21(13-31-22(20)26-14-27-31)28-23(32)19-7-6-16(3)25-10-19/h6-7,10,13-15,17H,8-9,11-12H2,1-5H3,(H,28,32)/t17-/m0/s1.
What are the key properties of 6-methyl-N-[7-methyl-8-[[(3S)-3-methyl-4-(2-methylpropanoyl)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-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.68, 5 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-(2-methylpropanoyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155536039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).