[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

C24H28N6O3 — CID 134521292

IUPAC[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)n1)N1CCOCC1
InChIInChI=1S/C24H28N6O3/c31-22(30-21(7-11-26-30)18-4-2-1-3-5-18)19-8-12-29(13-9-19)24-25-10-6-20(27-24)23(32)28-14-16-33-17-15-28/h1-6,10-11,19,21H,7-9,12-17H2
InChIKeyOZTRONVGHDVNOY-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.12
Rot. Bonds4

About [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone

[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (PubChem CID 134521292) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
PubChem CID134521292
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
SMILESO=C(c1ccnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)n1)N1CCOCC1
InChIInChI=1S/C24H28N6O3/c31-22(30-21(7-11-26-30)18-4-2-1-3-5-18)19-8-12-29(13-9-19)24-25-10-6-20(27-24)23(32)28-14-16-33-17-15-28/h1-6,10-11,19,21H,7-9,12-17H2
InChIKeyOZTRONVGHDVNOY-UHFFFAOYSA-N
XLogP2.12
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134522247
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
[1-(6-chloropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703730
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667
[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
2-chloropyrimidine-4-carboxylic acid;(1R)-1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;1-methylpiperazine;[1-[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone;2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxylic acid;[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperidin-4-ylmethanone
CID 161380936
[3-(6-methyl-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 122703608
azetidin-1-yl-[2-[4-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]methanone
CID 166860963
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297509
3-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 134522012
2-[4-[3-(2,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 134522227

Frequently Asked Questions

What is the IUPAC name of [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The IUPAC name of [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone (CID 134521292) is [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone.
What is the SMILES notation for [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The canonical SMILES for [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is O=C(c1ccnc(N2CCC(C(=O)N3N=CCC3c3ccccc3)CC2)n1)N1CCOCC1.
What is the InChIKey of [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
The InChIKey is OZTRONVGHDVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-22(30-21(7-11-26-30)18-4-2-1-3-5-18)19-8-12-29(13-9-19)24-25-10-6-20(27-24)23(32)28-14-16-33-17-15-28/h1-6,10-11,19,21H,7-9,12-17H2.
What are the key properties of [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone?
[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone has a molecular weight of 448.53 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone is sourced from PubChem (CID 134521292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).