1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide

C18H22ClN7O — CID 53203112

IUPAC1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H22ClN7O/c19-15-3-4-16-22-23-18(26(16)13-15)24-11-5-14(6-12-24)17(27)20-7-1-9-25-10-2-8-21-25/h2-4,8,10,13-14H,1,5-7,9,11-12H2,(H,20,27)
InChIKeyNXJMPQDCBYQVEG-UHFFFAOYSA-N
MW387.88 g/mol
LogP2.00
Rot. Bonds6

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

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 53203112) has the molecular formula C18H22ClN7O and a molecular weight of 387.88 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID53203112
Molecular FormulaC18H22ClN7O
Molecular Weight387.88 g/mol
Exact Mass387.16
IUPAC Name1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCn1cccn1)C1CCN(c2nnc3ccc(Cl)cn23)CC1
InChIInChI=1S/C18H22ClN7O/c19-15-3-4-16-22-23-18(26(16)13-15)24-11-5-14(6-12-24)17(27)20-7-1-9-25-10-2-8-21-25/h2-4,8,10,13-14H,1,5-7,9,11-12H2,(H,20,27)
InChIKeyNXJMPQDCBYQVEG-UHFFFAOYSA-N
XLogP2.00
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 53203100
N-butyl-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 53203332
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 53203103
N-propyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203022
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53203104
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[2-(diethylamino)ethyl]piperidine-3-carboxamide
CID 53202982
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203069
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[3-(N-methylanilino)propyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 83273982
2-(4-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 19332301
N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-pyridin-3-ylacetamide
CID 83278475

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (CID 53203112) is 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is O=C(NCCCn1cccn1)C1CCN(c2nnc3ccc(Cl)cn23)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is NXJMPQDCBYQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN7O/c19-15-3-4-16-22-23-18(26(16)13-15)24-11-5-14(6-12-24)17(27)20-7-1-9-25-10-2-8-21-25/h2-4,8,10,13-14H,1,5-7,9,11-12H2,(H,20,27).
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 387.88 g/mol, XLogP of 2.00, 6 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-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 53203112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).