1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C19H24ClN7O — CID 83275779

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C19H24ClN7O/c1-12-16(13(2)25(3)24-12)10-21-18(28)14-6-8-26(9-7-14)19-23-22-17-5-4-15(20)11-27(17)19/h4-5,11,14H,6-10H2,1-3H3,(H,21,28)
InChIKeyULHCKPXQKRQQMI-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.27
Rot. Bonds4

About 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 83275779) has the molecular formula C19H24ClN7O and a molecular weight of 401.90 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID83275779
Molecular FormulaC19H24ClN7O
Molecular Weight401.90 g/mol
Exact Mass401.17
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C19H24ClN7O/c1-12-16(13(2)25(3)24-12)10-21-18(28)14-6-8-26(9-7-14)19-23-22-17-5-4-15(20)11-27(17)19/h4-5,11,14H,6-10H2,1-3H3,(H,21,28)
InChIKeyULHCKPXQKRQQMI-UHFFFAOYSA-N
XLogP2.27
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 83275779) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ULHCKPXQKRQQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7O/c1-12-16(13(2)25(3)24-12)10-21-18(28)14-6-8-26(9-7-14)19-23-22-17-5-4-15(20)11-27(17)19/h4-5,11,14H,6-10H2,1-3H3,(H,21,28).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 401.90 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 83275779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).