7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide

C21H23FN4O — CID 177172025

IUPAC7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(-c3ccc(N4CCNCC4)cc3)ccc(F)c2[nH]1
InChIInChI=1S/C21H23FN4O/c1-25(2)21(27)19-13-17-16(7-8-18(22)20(17)24-19)14-3-5-15(6-4-14)26-11-9-23-10-12-26/h3-8,13,23-24H,9-12H2,1-2H3
InChIKeyASYYPYCXSKQGKC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.09
Rot. Bonds3

About 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide

7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 177172025) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide
PubChem CID177172025
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(-c3ccc(N4CCNCC4)cc3)ccc(F)c2[nH]1
InChIInChI=1S/C21H23FN4O/c1-25(2)21(27)19-13-17-16(7-8-18(22)20(17)24-19)14-3-5-15(6-4-14)26-11-9-23-10-12-26/h3-8,13,23-24H,9-12H2,1-2H3
InChIKeyASYYPYCXSKQGKC-UHFFFAOYSA-N
XLogP3.09
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide (CID 177172025) is 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(-c3ccc(N4CCNCC4)cc3)ccc(F)c2[nH]1.
What is the InChIKey of 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is ASYYPYCXSKQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25(2)21(27)19-13-17-16(7-8-18(22)20(17)24-19)14-3-5-15(6-4-14)26-11-9-23-10-12-26/h3-8,13,23-24H,9-12H2,1-2H3.
What are the key properties of 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide?
7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N-dimethyl-4-(4-piperazin-1-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 177172025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).