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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Related Compounds

5-chloro-1-ethyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]indole-2-carboxamide
CID 67416027
5-chloro-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-methylindole-2-carboxamide
CID 59365159
N-(1H-indol-6-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71701813
methyl 5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylate
CID 166518412
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
CID 31921139
tert-butyl 4-[5-[(5-chloro-1-ethylindole-2-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 59365160
N-(1H-indol-5-yl)-1-(2-methoxyethyl)indole-2-carboxamide
CID 71702187
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
5-amino-2-(5-chloro-2-fluorophenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 144595216
5-fluoro-6-(2-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 144595164
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
2-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 62242493

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).