N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide

C17H20ClN7O — CID 53203559

IUPACN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3nnc4ccc(Cl)cn34)CC2)n1
InChIInChI=1S/C17H20ClN7O/c1-2-24-10-7-14(22-24)16(26)19-13-5-8-23(9-6-13)17-21-20-15-4-3-12(18)11-25(15)17/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,19,26)
InChIKeyYYNWTNMTRVGMMT-UHFFFAOYSA-N
MW373.85 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide

N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 53203559) has the molecular formula C17H20ClN7O and a molecular weight of 373.85 g/mol. Its IUPAC name is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID53203559
Molecular FormulaC17H20ClN7O
Molecular Weight373.85 g/mol
Exact Mass373.14
IUPAC NameN-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NC2CCN(c3nnc4ccc(Cl)cn34)CC2)n1
InChIInChI=1S/C17H20ClN7O/c1-2-24-10-7-14(22-24)16(26)19-13-5-8-23(9-6-13)17-21-20-15-4-3-12(18)11-25(15)17/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,19,26)
InChIKeyYYNWTNMTRVGMMT-UHFFFAOYSA-N
XLogP2.00
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.85
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide (CID 53203559) is N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NC2CCN(c3nnc4ccc(Cl)cn34)CC2)n1.
What is the InChIKey of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is YYNWTNMTRVGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O/c1-2-24-10-7-14(22-24)16(26)19-13-5-8-23(9-6-13)17-21-20-15-4-3-12(18)11-25(15)17/h3-4,7,10-11,13H,2,5-6,8-9H2,1H3,(H,19,26).
What are the key properties of N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide?
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 373.85 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 53203559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).