[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C17H23N5O — CID 53203310

IUPAC[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc2nnc(N3CCCC(C(=O)N4CCCC4)C3)n12
InChIInChI=1S/C17H23N5O/c1-13-6-4-8-15-18-19-17(22(13)15)21-11-5-7-14(12-21)16(23)20-9-2-3-10-20/h4,6,8,14H,2-3,5,7,9-12H2,1H3
InChIKeyDJNDWGHXEFUBLN-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.88
Rot. Bonds2

About [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53203310) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID53203310
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc2nnc(N3CCCC(C(=O)N4CCCC4)C3)n12
InChIInChI=1S/C17H23N5O/c1-13-6-4-8-15-18-19-17(22(13)15)21-11-5-7-14(12-21)16(23)20-9-2-3-10-20/h4,6,8,14H,2-3,5,7,9-12H2,1H3
InChIKeyDJNDWGHXEFUBLN-UHFFFAOYSA-N
XLogP1.88
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 53203310) is [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1cccc2nnc(N3CCCC(C(=O)N4CCCC4)C3)n12.
What is the InChIKey of [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DJNDWGHXEFUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-6-4-8-15-18-19-17(22(13)15)21-11-5-7-14(12-21)16(23)20-9-2-3-10-20/h4,6,8,14H,2-3,5,7,9-12H2,1H3.
What are the key properties of [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53203310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).