2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide

C20H23ClN4O2 — CID 67773813

IUPAC2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3c(Cl)cccc32)n1
InChIInChI=1S/C20H23ClN4O2/c1-24-10-9-18(23-24)22-20(27)17(11-13-5-2-3-6-13)25-16-8-4-7-15(21)14(16)12-19(25)26/h4,7-10,13,17H,2-3,5-6,11-12H2,1H3,(H,22,23,27)
InChIKeyFDIPQIMMQIBMSF-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.55
Rot. Bonds5

About 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide

2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 67773813) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID67773813
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3c(Cl)cccc32)n1
InChIInChI=1S/C20H23ClN4O2/c1-24-10-9-18(23-24)22-20(27)17(11-13-5-2-3-6-13)25-16-8-4-7-15(21)14(16)12-19(25)26/h4,7-10,13,17H,2-3,5-6,11-12H2,1H3,(H,22,23,27)
InChIKeyFDIPQIMMQIBMSF-UHFFFAOYSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide (CID 67773813) is 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)Cc3c(Cl)cccc32)n1.
What is the InChIKey of 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is FDIPQIMMQIBMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-24-10-9-18(23-24)22-20(27)17(11-13-5-2-3-6-13)25-16-8-4-7-15(21)14(16)12-19(25)26/h4,7-10,13,17H,2-3,5-6,11-12H2,1H3,(H,22,23,27).
What are the key properties of 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide?
2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 386.88 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 67773813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).