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

C20H24ClF2N5O2 — CID 118450532

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)C1CCOCC1
InChIInChI=1S/C20H24ClF2N5O2/c1-26(15-4-8-30-9-5-15)19(29)16-3-7-27(13-20(16,22)23)18-11-24-6-2-17(18)28-12-14(21)10-25-28/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3
InChIKeyKZOZTKHFQCAVQW-UHFFFAOYSA-N
MW439.89 g/mol
LogP3.02
Rot. Bonds4

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

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (PubChem CID 118450532) has the molecular formula C20H24ClF2N5O2 and a molecular weight of 439.89 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
PubChem CID118450532
Molecular FormulaC20H24ClF2N5O2
Molecular Weight439.89 g/mol
Exact Mass439.16
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)C1CCOCC1
InChIInChI=1S/C20H24ClF2N5O2/c1-26(15-4-8-30-9-5-15)19(29)16-3-7-27(13-20(16,22)23)18-11-24-6-2-17(18)28-12-14(21)10-25-28/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3
InChIKeyKZOZTKHFQCAVQW-UHFFFAOYSA-N
XLogP3.02
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.89
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoropiperidin-4-yl]-morpholin-4-ylmethanone
CID 118450519
3,3-difluoro-N-methyl-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450421
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 129066111
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 118450442
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(1S)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methanone
CID 130222611
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 118450454
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 118450749
1-[4-(4-cyanopyrazol-1-yl)-3-pyridinyl]-N,N-dimethylpiperidine-4-carboxamide
CID 118450678
tert-butyl 3,3-difluoro-4-[methyl(oxolan-3-yl)carbamoyl]piperidine-1-carboxylate
CID 136542993
1-[3-(4-chloropyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105074698
N-[[4-(4-chloropyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81254178
N-methyl-N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]cyclopropanecarboxamide
CID 171328562

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide (CID 118450532) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is CN(C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1(F)F)C1CCOCC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
The InChIKey is KZOZTKHFQCAVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF2N5O2/c1-26(15-4-8-30-9-5-15)19(29)16-3-7-27(13-20(16,22)23)18-11-24-6-2-17(18)28-12-14(21)10-25-28/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide has a molecular weight of 439.89 g/mol, XLogP of 3.02, 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]-3,3-difluoro-N-methyl-N-(oxan-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).