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

C24H19F2N3O2 — CID 90153023

IUPAC5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H19F2N3O2/c25-18-7-14(8-19(26)11-18)13-29-6-5-16-9-20(3-4-22(16)29)28-23-21(24(30)31)10-17(12-27-23)15-1-2-15/h3-12,15H,1-2,13H2,(H,27,28)(H,30,31)
InChIKeyWGVZLRJKTFIYMV-UHFFFAOYSA-N
MW419.43 g/mol
LogP5.68
Rot. Bonds6

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

5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90153023) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90153023
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2cc(F)cc(F)c2)c1
InChIInChI=1S/C24H19F2N3O2/c25-18-7-14(8-19(26)11-18)13-29-6-5-16-9-20(3-4-22(16)29)28-23-21(24(30)31)10-17(12-27-23)15-1-2-15/h3-12,15H,1-2,13H2,(H,27,28)(H,30,31)
InChIKeyWGVZLRJKTFIYMV-UHFFFAOYSA-N
XLogP5.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 55.68
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-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid (CID 90153023) is 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2Cc2cc(F)cc(F)c2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is WGVZLRJKTFIYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-18-7-14(8-19(26)11-18)13-29-6-5-16-9-20(3-4-22(16)29)28-23-21(24(30)31)10-17(12-27-23)15-1-2-15/h3-12,15H,1-2,13H2,(H,27,28)(H,30,31).
What are the key properties of 5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 419.43 g/mol, XLogP of 5.68, 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-[(3,5-difluorophenyl)methyl]indol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90153023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).