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

C18H22ClN5O2 — CID 118450483

IUPAC1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-9-21-24(11-14)16-1-5-20-10-17(16)23-6-2-13(3-7-23)18(25)22-15-4-8-26-12-15/h1,5,9-11,13,15H,2-4,6-8,12H2,(H,22,25)/t15-/m1/s1
InChIKeyAYQTWNOROBBHHO-OAHLLOKOSA-N
MW375.86 g/mol
LogP2.04
Rot. Bonds4

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

1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 118450483) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID118450483
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCOC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C18H22ClN5O2/c19-14-9-21-24(11-14)16-1-5-20-10-17(16)23-6-2-13(3-7-23)18(25)22-15-4-8-26-12-15/h1,5,9-11,13,15H,2-4,6-8,12H2,(H,22,25)/t15-/m1/s1
InChIKeyAYQTWNOROBBHHO-OAHLLOKOSA-N
XLogP2.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-pyridin-3-ylacetamide
CID 53557686
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-pyridin-3-ylacetamide
CID 53565625
(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-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-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 118450483) is 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is O=C(N[C@@H]1CCOC1)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is AYQTWNOROBBHHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-14-9-21-24(11-14)16-1-5-20-10-17(16)23-6-2-13(3-7-23)18(25)22-15-4-8-26-12-15/h1,5,9-11,13,15H,2-4,6-8,12H2,(H,22,25)/t15-/m1/s1.
What are the key properties of 1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.04, 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-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118450483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).