[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C17H19N7O — CID 53190831

IUPAC[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc2c(NC3CCN(C(=O)c4cnccn4)CC3)cccn2n1
InChIInChI=1S/C17H19N7O/c1-12-20-16-14(3-2-8-24(16)22-12)21-13-4-9-23(10-5-13)17(25)15-11-18-6-7-19-15/h2-3,6-8,11,13,21H,4-5,9-10H2,1H3
InChIKeyDSMIWNUBSLJTFT-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.54
Rot. Bonds3

About [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53190831) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53190831
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nc2c(NC3CCN(C(=O)c4cnccn4)CC3)cccn2n1
InChIInChI=1S/C17H19N7O/c1-12-20-16-14(3-2-8-24(16)22-12)21-13-4-9-23(10-5-13)17(25)15-11-18-6-7-19-15/h2-3,6-8,11,13,21H,4-5,9-10H2,1H3
InChIKeyDSMIWNUBSLJTFT-UHFFFAOYSA-N
XLogP1.54
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 53190831) is [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1nc2c(NC3CCN(C(=O)c4cnccn4)CC3)cccn2n1.
What is the InChIKey of [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is DSMIWNUBSLJTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-20-16-14(3-2-8-24(16)22-12)21-13-4-9-23(10-5-13)17(25)15-11-18-6-7-19-15/h2-3,6-8,11,13,21H,4-5,9-10H2,1H3.
What are the key properties of [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 337.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53190831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).