5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid

C24H20FN3O2 — CID 90152649

IUPAC5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O2/c25-19-5-1-15(2-6-19)14-28-10-9-17-11-20(7-8-22(17)28)27-23-21(24(29)30)12-18(13-26-23)16-3-4-16/h1-2,5-13,16H,3-4,14H2,(H,26,27)(H,29,30)
InChIKeyZZPWZKYXFMGXIZ-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.54
Rot. Bonds6

About 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90152649) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90152649
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O2/c25-19-5-1-15(2-6-19)14-28-10-9-17-11-20(7-8-22(17)28)27-23-21(24(29)30)12-18(13-26-23)16-3-4-16/h1-2,5-13,16H,3-4,14H2,(H,26,27)(H,29,30)
InChIKeyZZPWZKYXFMGXIZ-UHFFFAOYSA-N
XLogP5.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90152649) is 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZZPWZKYXFMGXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-19-5-1-15(2-6-19)14-28-10-9-17-11-20(7-8-22(17)28)27-23-21(24(29)30)12-18(13-26-23)16-3-4-16/h1-2,5-13,16H,3-4,14H2,(H,26,27)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).