(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C23H21N7O — CID 9397141

IUPAC(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H21N7O/c31-22(28-12-14-29(15-13-28)23-25-10-5-11-26-23)20-17-30(19-7-2-1-3-8-19)27-21(20)18-6-4-9-24-16-18/h1-11,16-17H,12-15H2
InChIKeyVZDLRURPQACSBO-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.69
Rot. Bonds4

About (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 9397141) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID9397141
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H21N7O/c31-22(28-12-14-29(15-13-28)23-25-10-5-11-26-23)20-17-30(19-7-2-1-3-8-19)27-21(20)18-6-4-9-24-16-18/h1-11,16-17H,12-15H2
InChIKeyVZDLRURPQACSBO-UHFFFAOYSA-N
XLogP2.69
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-diphenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2475806
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 26199829
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622995
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
3-pyridin-3-yl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 43531851
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
[3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26245495
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 120819044
[3-(methylaminomethyl)piperidin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone;dihydrochloride
CID 119394788

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 9397141) is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is VZDLRURPQACSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c31-22(28-12-14-29(15-13-28)23-25-10-5-11-26-23)20-17-30(19-7-2-1-3-8-19)27-21(20)18-6-4-9-24-16-18/h1-11,16-17H,12-15H2.
What are the key properties of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 411.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9397141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).