2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide

C18H21ClN4O2 — CID 57378816

IUPAC2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2c(Cl)cccc21
InChIInChI=1S/C18H21ClN4O2/c1-11(2)9-15(18(25)20-16-7-8-22(3)21-16)23-14-6-4-5-13(19)12(14)10-17(23)24/h4-8,11,15H,9-10H2,1-3H3,(H,20,21,25)
InChIKeyLZRANZHESNCVAT-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.02
Rot. Bonds5

About 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide

2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (PubChem CID 57378816) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
PubChem CID57378816
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide
SMILESCC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2c(Cl)cccc21
InChIInChI=1S/C18H21ClN4O2/c1-11(2)9-15(18(25)20-16-7-8-22(3)21-16)23-14-6-4-5-13(19)12(14)10-17(23)24/h4-8,11,15H,9-10H2,1-3H3,(H,20,21,25)
InChIKeyLZRANZHESNCVAT-UHFFFAOYSA-N
XLogP3.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.02
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)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The IUPAC name of 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide (CID 57378816) is 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The canonical SMILES for 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2c(Cl)cccc21.
What is the InChIKey of 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
The InChIKey is LZRANZHESNCVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11(2)9-15(18(25)20-16-7-8-22(3)21-16)23-14-6-4-5-13(19)12(14)10-17(23)24/h4-8,11,15H,9-10H2,1-3H3,(H,20,21,25).
What are the key properties of 2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide?
2-(4-chloro-2-oxo-3H-indol-1-yl)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide has a molecular weight of 360.85 g/mol, XLogP of 3.02, 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)-4-methyl-N-(1-methylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 57378816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).