5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid

C27H24F2N2O2 — CID 144618968

IUPAC5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(CCCc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C27H24F2N2O2/c1-31-10-9-18-11-16(12-22(26(18)31)21-8-7-20(28)14-24(21)29)3-2-4-25-23(27(32)33)13-19(15-30-25)17-5-6-17/h7-15,17H,2-6H2,1H3,(H,32,33)
InChIKeyCXVULNDJZHJBCH-UHFFFAOYSA-N
MW446.50 g/mol
LogP6.27
Rot. Bonds7

About 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid (PubChem CID 144618968) has the molecular formula C27H24F2N2O2 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
PubChem CID144618968
Molecular FormulaC27H24F2N2O2
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(CCCc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccc(F)cc3F)c21
InChIInChI=1S/C27H24F2N2O2/c1-31-10-9-18-11-16(12-22(26(18)31)21-8-7-20(28)14-24(21)29)3-2-4-25-23(27(32)33)13-19(15-30-25)17-5-6-17/h7-15,17H,2-6H2,1H3,(H,32,33)
InChIKeyCXVULNDJZHJBCH-UHFFFAOYSA-N
XLogP6.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid (CID 144618968) is 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid is Cn1ccc2cc(CCCc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccc(F)cc3F)c21.
What is the InChIKey of 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid?
The InChIKey is CXVULNDJZHJBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O2/c1-31-10-9-18-11-16(12-22(26(18)31)21-8-7-20(28)14-24(21)29)3-2-4-25-23(27(32)33)13-19(15-30-25)17-5-6-17/h7-15,17H,2-6H2,1H3,(H,32,33).
What are the key properties of 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid has a molecular weight of 446.50 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-[7-(2,4-difluorophenyl)-1-methylindol-5-yl]propyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 144618968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).