5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide

C23H25ClN4O2 — CID 129040061

IUPAC5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29)
InChIKeyJTKLARLJQRCGKJ-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.70
Rot. Bonds4

About 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide

5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 129040061) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID129040061
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29)
InChIKeyJTKLARLJQRCGKJ-UHFFFAOYSA-N
XLogP3.70
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(4R)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-2-methyl-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid;hydrochloride
CID 21060548
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
5-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55579430

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide (CID 129040061) is 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is JTKLARLJQRCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29).
What are the key properties of 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide?
5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 129040061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).