5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide

C16H17ClN4O2 — CID 71706250

IUPAC5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cnn(C)c2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H17ClN4O2/c1-20-10-13(9-18-20)19-16(22)15-8-11-7-12(17)3-4-14(11)21(15)5-6-23-2/h3-4,7-10H,5-6H2,1-2H3,(H,19,22)
InChIKeyZMOIMSNXDPHACY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.93
Rot. Bonds5

About 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide

5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide (PubChem CID 71706250) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide
PubChem CID71706250
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)Nc2cnn(C)c2)cc2cc(Cl)ccc21
InChIInChI=1S/C16H17ClN4O2/c1-20-10-13(9-18-20)19-16(22)15-8-11-7-12(17)3-4-14(11)21(15)5-6-23-2/h3-4,7-10H,5-6H2,1-2H3,(H,19,22)
InChIKeyZMOIMSNXDPHACY-UHFFFAOYSA-N
XLogP2.93
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide (CID 71706250) is 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide is COCCn1c(C(=O)Nc2cnn(C)c2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide?
The InChIKey is ZMOIMSNXDPHACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-20-10-13(9-18-20)19-16(22)15-8-11-7-12(17)3-4-14(11)21(15)5-6-23-2/h3-4,7-10H,5-6H2,1-2H3,(H,19,22).
What are the key properties of 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide?
5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methoxyethyl)-N-(1-methylpyrazol-4-yl)indole-2-carboxamide is sourced from PubChem (CID 71706250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).