1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide

C30H26ClFN8O3 — CID 138525618

IUPAC1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
SMILESCc1ccc(-n2nccc2NC(=O)C2CC(F)CN2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccnnc4)ccc32)cc1Cl
InChIInChI=1S/C30H26ClFN8O3/c1-17-2-4-21(12-24(17)31)40-27(7-9-36-40)37-30(43)26-11-20(32)14-39(26)28(41)16-38-15-23(29(33)42)22-10-18(3-5-25(22)38)19-6-8-34-35-13-19/h2-10,12-13,15,20,26H,11,14,16H2,1H3,(H2,33,42)(H,37,43)
InChIKeyUNVSQQNMTOIUGW-UHFFFAOYSA-N
MW601.04 g/mol
LogP3.92
Rot. Bonds7

About 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide

1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide (PubChem CID 138525618) has the molecular formula C30H26ClFN8O3 and a molecular weight of 601.04 g/mol. Its IUPAC name is 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
PubChem CID138525618
Molecular FormulaC30H26ClFN8O3
Molecular Weight601.04 g/mol
Exact Mass600.18
IUPAC Name1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
SMILESCc1ccc(-n2nccc2NC(=O)C2CC(F)CN2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccnnc4)ccc32)cc1Cl
InChIInChI=1S/C30H26ClFN8O3/c1-17-2-4-21(12-24(17)31)40-27(7-9-36-40)37-30(43)26-11-20(32)14-39(26)28(41)16-38-15-23(29(33)42)22-10-18(3-5-25(22)38)19-6-8-34-35-13-19/h2-10,12-13,15,20,26H,11,14,16H2,1H3,(H2,33,42)(H,37,43)
InChIKeyUNVSQQNMTOIUGW-UHFFFAOYSA-N
XLogP3.92
TPSA141.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.04
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-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 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide?
The IUPAC name of 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide (CID 138525618) is 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide?
The canonical SMILES for 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide is Cc1ccc(-n2nccc2NC(=O)C2CC(F)CN2C(=O)Cn2cc(C(N)=O)c3cc(-c4ccnnc4)ccc32)cc1Cl.
What is the InChIKey of 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide?
The InChIKey is UNVSQQNMTOIUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN8O3/c1-17-2-4-21(12-24(17)31)40-27(7-9-36-40)37-30(43)26-11-20(32)14-39(26)28(41)16-38-15-23(29(33)42)22-10-18(3-5-25(22)38)19-6-8-34-35-13-19/h2-10,12-13,15,20,26H,11,14,16H2,1H3,(H2,33,42)(H,37,43).
What are the key properties of 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide?
1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide has a molecular weight of 601.04 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide is sourced from PubChem (CID 138525618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).