4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide

C15H19FN4O — CID 121294146

IUPAC4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(N)C3)c2c1C
InChIInChI=1S/C15H19FN4O/c1-7-8(2)19-13-10(15(18)21)5-11(16)14(12(7)13)20-4-3-9(17)6-20/h5,9,19H,3-4,6,17H2,1-2H3,(H2,18,21)
InChIKeyWPZSCRUSEWWLNK-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.56
Rot. Bonds2

About 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide

4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121294146) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121294146
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(N)C3)c2c1C
InChIInChI=1S/C15H19FN4O/c1-7-8(2)19-13-10(15(18)21)5-11(16)14(12(7)13)20-4-3-9(17)6-20/h5,9,19H,3-4,6,17H2,1-2H3,(H2,18,21)
InChIKeyWPZSCRUSEWWLNK-UHFFFAOYSA-N
XLogP1.56
TPSA88.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide (CID 121294146) is 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide is Cc1[nH]c2c(C(N)=O)cc(F)c(N3CCC(N)C3)c2c1C.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is WPZSCRUSEWWLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-7-8(2)19-13-10(15(18)21)5-11(16)14(12(7)13)20-4-3-9(17)6-20/h5,9,19H,3-4,6,17H2,1-2H3,(H2,18,21).
What are the key properties of 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide?
4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121294146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).