3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide

C24H22ClIN6O2 — CID 70889142

IUPAC3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(C)cc(I)cc1C(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C24H22ClIN6O2/c1-13-5-4-8-28-21(13)32-18(11-19(25)31-32)23(34)29-20-14(2)9-16(26)10-17(20)22(33)30-24(3,12-27)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyUCWORPFXRXBDQX-UHFFFAOYSA-N
MW588.84 g/mol
LogP4.82
Rot. Bonds6

About 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide

3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 70889142) has the molecular formula C24H22ClIN6O2 and a molecular weight of 588.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID70889142
Molecular FormulaC24H22ClIN6O2
Molecular Weight588.84 g/mol
Exact Mass588.05
IUPAC Name3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(C)cc(I)cc1C(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C24H22ClIN6O2/c1-13-5-4-8-28-21(13)32-18(11-19(25)31-32)23(34)29-20-14(2)9-16(26)10-17(20)22(33)30-24(3,12-27)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyUCWORPFXRXBDQX-UHFFFAOYSA-N
XLogP4.82
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.84
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide (CID 70889142) is 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide is Cc1cccnc1-n1nc(Cl)cc1C(=O)Nc1c(C)cc(I)cc1C(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is UCWORPFXRXBDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClIN6O2/c1-13-5-4-8-28-21(13)32-18(11-19(25)31-32)23(34)29-20-14(2)9-16(26)10-17(20)22(33)30-24(3,12-27)15-6-7-15/h4-5,8-11,15H,6-7H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide?
3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 588.84 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(1-cyano-1-cyclopropylethyl)carbamoyl]-4-iodo-6-methylphenyl]-1-(3-methyl-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70889142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).