(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C29H26N6O — CID 16622995

IUPAC(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C29H26N6O/c36-29(26-21-35(25-11-2-1-3-12-25)32-28(26)23-10-5-13-30-19-23)34-17-15-33(16-18-34)20-24-8-4-7-22-9-6-14-31-27(22)24/h1-14,19,21H,15-18,20H2
InChIKeyTYMUVBJFAGRRMJ-UHFFFAOYSA-N
MW474.57 g/mol
LogP4.44
Rot. Bonds5

About (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 16622995) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID16622995
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC Name(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C29H26N6O/c36-29(26-21-35(25-11-2-1-3-12-25)32-28(26)23-10-5-13-30-19-23)34-17-15-33(16-18-34)20-24-8-4-7-22-9-6-14-31-27(22)24/h1-14,19,21H,15-18,20H2
InChIKeyTYMUVBJFAGRRMJ-UHFFFAOYSA-N
XLogP4.44
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 9397141
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
[4-(4-chlorophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 60557626
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
(2-iodo-3-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55691428
[4-(4-nitrophenyl)piperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 26199829
1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
methyl 1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxylate
CID 51153893
(1,3-diphenylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2475806
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
(2-methylmorpholin-4-yl)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 24575607

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 16622995) is (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is TYMUVBJFAGRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c36-29(26-21-35(25-11-2-1-3-12-25)32-28(26)23-10-5-13-30-19-23)34-17-15-33(16-18-34)20-24-8-4-7-22-9-6-14-31-27(22)24/h1-14,19,21H,15-18,20H2.
What are the key properties of (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 474.57 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 16622995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).