1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide

C19H24ClN5O2 — CID 118450767

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H24ClN5O2/c20-15-11-22-25(13-15)17-1-6-21-12-18(17)24-7-2-14(3-8-24)19(26)23-16-4-9-27-10-5-16/h1,6,11-14,16H,2-5,7-10H2,(H,23,26)
InChIKeyIVCCOKNXQTUZSL-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118450767) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118450767
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H24ClN5O2/c20-15-11-22-25(13-15)17-1-6-21-12-18(17)24-7-2-14(3-8-24)19(26)23-16-4-9-27-10-5-16/h1,6,11-14,16H,2-5,7-10H2,(H,23,26)
InChIKeyIVCCOKNXQTUZSL-UHFFFAOYSA-N
XLogP2.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 3
CID 118450643
US9963443, Reference Example 14
CID 118450653
1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
CID 118450561
US9963443, Reference Example 13
CID 146047738
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3S)-3-fluoropyrrolidin-1-yl)methanone
CID 76283991
1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-phenylpiperidine-4-carboxamide
CID 118450436
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 118450482
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N-methyl-N-((3S)-tetrahydrofuran-3-yl)piperidine-4-carboxamide
CID 118450485
N-methyl-1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide
CID 118450486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide (CID 118450767) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide is O=C(NC1CCOCC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is IVCCOKNXQTUZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c20-15-11-22-25(13-15)17-1-6-21-12-18(17)24-7-2-14(3-8-24)19(26)23-16-4-9-27-10-5-16/h1,6,11-14,16H,2-5,7-10H2,(H,23,26).
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).