(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone

C24H18N4OS — CID 54583878

IUPAC(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1ccccc1
InChIInChI=1S/C24H18N4OS/c29-24(23-12-11-22(30-23)19-10-4-5-14-26-19)28-21(17-7-2-1-3-8-17)15-20(27-28)18-9-6-13-25-16-18/h1-14,16,21H,15H2
InChIKeyHFFLQUJDKJPLGQ-UHFFFAOYSA-N
MW410.50 g/mol
LogP5.20
Rot. Bonds4

About (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone

(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 54583878) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID54583878
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1ccccc1
InChIInChI=1S/C24H18N4OS/c29-24(23-12-11-22(30-23)19-10-4-5-14-26-19)28-21(17-7-2-1-3-8-17)15-20(27-28)18-9-6-13-25-16-18/h1-14,16,21H,15H2
InChIKeyHFFLQUJDKJPLGQ-UHFFFAOYSA-N
XLogP5.20
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182691
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-pyridin-2-yl-N-[(2R,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 44402005
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459157
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
5-Pyridin-2-yl-1-pyridin-3-yl-3-thiophen-3-ylpyridin-2-one
CID 9945439
N-[bis(2-pyridyl)methyleneamino]thiophene-2-carboxamide
CID 10086587
5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 11617038
2-{3-Pyridin-3-yl-1-[(5-pyridin-2-yl-2-thienyl)carbonyl]-4,5-dihydro-1h-pyrazol-5-yl}phenol
CID 24963588
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 42606107

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone (CID 54583878) is (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1ccccc1.
What is the InChIKey of (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is HFFLQUJDKJPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(23-12-11-22(30-23)19-10-4-5-14-26-19)28-21(17-7-2-1-3-8-17)15-20(27-28)18-9-6-13-25-16-18/h1-14,16,21H,15H2.
What are the key properties of (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone?
(3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 410.50 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl)-(5-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 54583878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).