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

C26H27N5O2 — CID 53029603

IUPAC(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C26H27N5O2/c32-25(30-14-8-20(9-15-30)19-4-2-1-3-5-19)22-10-16-31(17-11-22)26(33)24-18-23(28-29-24)21-6-12-27-13-7-21/h1-8,12-13,18,22H,9-11,14-17H2,(H,28,29)
InChIKeyNBCBUMBXICQKIQ-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.64
Rot. Bonds4

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

(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (PubChem CID 53029603) 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)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
PubChem CID53029603
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1
InChIInChI=1S/C26H27N5O2/c32-25(30-14-8-20(9-15-30)19-4-2-1-3-5-19)22-10-16-31(17-11-22)26(33)24-18-23(28-29-24)21-6-12-27-13-7-21/h1-8,12-13,18,22H,9-11,14-17H2,(H,28,29)
InChIKeyNBCBUMBXICQKIQ-UHFFFAOYSA-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)-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93059395
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087516
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557
1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031096
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505
N-(2,6-dimethylphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087509
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 79031682
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
N-(1-methylpiperidin-4-yl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 163295106
[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95722063

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone (CID 53029603) is (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is O=C(c1cc(-c2ccncc2)n[nH]1)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1.
What is the InChIKey of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
The InChIKey is NBCBUMBXICQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-25(30-14-8-20(9-15-30)19-4-2-1-3-5-19)22-10-16-31(17-11-22)26(33)24-18-23(28-29-24)21-6-12-27-13-7-21/h1-8,12-13,18,22H,9-11,14-17H2,(H,28,29).
What are the key properties of (4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone?
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-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)-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 53029603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).