(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone

C26H27N5O2 — CID 93059395

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1
InChIInChI=1S/C26H27N5O2/c32-25(30-14-10-20(11-15-30)19-6-2-1-3-7-19)22-9-5-13-31(18-22)26(33)24-16-23(28-29-24)21-8-4-12-27-17-21/h1-4,6-8,10,12,16-17,22H,5,9,11,13-15,18H2,(H,28,29)/t22-/m1/s1
InChIKeyJZENNQJISDQWTO-JOCHJYFZSA-N
MW441.54 g/mol
LogP3.64
Rot. Bonds4

About (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 93059395) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID93059395
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1
InChIInChI=1S/C26H27N5O2/c32-25(30-14-10-20(11-15-30)19-6-2-1-3-7-19)22-9-5-13-31(18-22)26(33)24-16-23(28-29-24)21-8-4-12-27-17-21/h1-4,6-8,10,12,16-17,22H,5,9,11,13-15,18H2,(H,28,29)/t22-/m1/s1
InChIKeyJZENNQJISDQWTO-JOCHJYFZSA-N
XLogP3.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53029603
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069503
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069490
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087698
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125003762
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087666
[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 50800047

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone (CID 93059395) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone is O=C(c1cc(-c2cccnc2)n[nH]1)N1CCC[C@@H](C(=O)N2CC=C(c3ccccc3)CC2)C1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is JZENNQJISDQWTO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-25(30-14-10-20(11-15-30)19-6-2-1-3-7-19)22-9-5-13-31(18-22)26(33)24-16-23(28-29-24)21-8-4-12-27-17-21/h1-4,6-8,10,12,16-17,22H,5,9,11,13-15,18H2,(H,28,29)/t22-/m1/s1.
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 441.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 93059395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).