(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile

C19H21ClN6O2 — CID 118450524

IUPAC(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile
SMILESN#C[C@H]1C[C@@H](O)CN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H21ClN6O2/c20-14-9-23-26(11-14)17-1-4-22-10-18(17)24-5-2-13(3-6-24)19(28)25-12-16(27)7-15(25)8-21/h1,4,9-11,13,15-16,27H,2-3,5-7,12H2/t15-,16-/m1/s1
InChIKeyOSQJWWCBYAODIY-HZPDHXFCSA-N
MW400.87 g/mol
LogP1.62
Rot. Bonds3

About (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile

(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile (PubChem CID 118450524) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile
PubChem CID118450524
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC Name(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile
SMILESN#C[C@H]1C[C@@H](O)CN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1
InChIInChI=1S/C19H21ClN6O2/c20-14-9-23-26(11-14)17-1-4-22-10-18(17)24-5-2-13(3-6-24)19(28)25-12-16(27)7-15(25)8-21/h1,4,9-11,13,15-16,27H,2-3,5-7,12H2/t15-,16-/m1/s1
InChIKeyOSQJWWCBYAODIY-HZPDHXFCSA-N
XLogP1.62
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
(2R)-4,4-difluoro-1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)pyrrolidine-2-carbonitrile
CID 74766608
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3S)-3-fluoropyrrolidin-1-yl)methanone
CID 76283991
(2S)-4,4-difluoro-1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)pyrrolidine-2-carbonitrile
CID 118450397
[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-((3R)-tetrahydrofuran-3-yl)piperidine-4-carboxamide
CID 118450489
(2R,4S)-4-methoxy-1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)pyrrolidine-2-carbonitrile
CID 118450494
N-(2-fluoroethyl)-1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)-N-((3R)-tetrahydrofuran-3-yl)piperidine-4-carboxamide
CID 118450557

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile?
The IUPAC name of (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile (CID 118450524) is (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile?
The canonical SMILES for (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile is N#C[C@H]1C[C@@H](O)CN1C(=O)C1CCN(c2cnccc2-n2cc(Cl)cn2)CC1.
What is the InChIKey of (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile?
The InChIKey is OSQJWWCBYAODIY-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c20-14-9-23-26(11-14)17-1-4-22-10-18(17)24-5-2-13(3-6-24)19(28)25-12-16(27)7-15(25)8-21/h1,4,9-11,13,15-16,27H,2-3,5-7,12H2/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile?
(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile has a molecular weight of 400.87 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile is sourced from PubChem (CID 118450524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).