2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine

C24H22N4O2S — CID 134515356

IUPAC2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(C3CC3)cc2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1
InChIInChI=1S/C24H22N4O2S/c1-16-4-3-5-22(26-16)24-21(15-28(27-24)19-8-9-19)18-12-13-25-23(14-18)17-6-10-20(11-7-17)31(2,29)30/h3-7,10-15,19H,8-9H2,1-2H3
InChIKeyHIKFXURRIPQGSA-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.72
Rot. Bonds5

About 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine

2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine (PubChem CID 134515356) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine
PubChem CID134515356
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine
SMILESCc1cccc(-c2nn(C3CC3)cc2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1
InChIInChI=1S/C24H22N4O2S/c1-16-4-3-5-22(26-16)24-21(15-28(27-24)19-8-9-19)18-12-13-25-23(14-18)17-6-10-20(11-7-17)31(2,29)30/h3-7,10-15,19H,8-9H2,1-2H3
InChIKeyHIKFXURRIPQGSA-UHFFFAOYSA-N
XLogP4.72
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine?
The IUPAC name of 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine (CID 134515356) is 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine.
What is the SMILES notation for 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine?
The canonical SMILES for 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine is Cc1cccc(-c2nn(C3CC3)cc2-c2ccnc(-c3ccc(S(C)(=O)=O)cc3)c2)n1.
What is the InChIKey of 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine?
The InChIKey is HIKFXURRIPQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-16-4-3-5-22(26-16)24-21(15-28(27-24)19-8-9-19)18-12-13-25-23(14-18)17-6-10-20(11-7-17)31(2,29)30/h3-7,10-15,19H,8-9H2,1-2H3.
What are the key properties of 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine?
2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine has a molecular weight of 430.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-4-[2-(4-methylsulfonylphenyl)-4-pyridinyl]pyrazol-3-yl]-6-methylpyridine is sourced from PubChem (CID 134515356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).