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

C20H26ClN5O2 — CID 118450643

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1
InChIInChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3
InChIKeyHLAZCQCRADSTHS-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.77
Rot. Bonds4

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

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118450643) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118450643
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1
InChIInChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3
InChIKeyHLAZCQCRADSTHS-UHFFFAOYSA-N
XLogP2.77
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-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

Cholesterol 24-hydroxylase-IN-1
CID 118450616
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 4
CID 118450573
US9963443, Reference Example 14
CID 118450653
1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
CID 118450561
9-[(1-Methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (CID 118450643) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1)C1CCOCC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is HLAZCQCRADSTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-24(17-5-10-28-11-6-17)20(27)15-3-8-25(9-4-15)19-13-22-7-2-18(19)26-14-16(21)12-23-26/h2,7,12-15,17H,3-6,8-11H2,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 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-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).