1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid

C27H24FN5O3 — CID 67497381

IUPAC1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid
SMILESCN(c1ccn[nH]1)C(Cc1ccc(F)cc1)C(=O)N1CCc2c(C(=O)O)cc(-c3ccncc3)cc21
InChIInChI=1S/C27H24FN5O3/c1-32(25-8-12-30-31-25)24(14-17-2-4-20(28)5-3-17)26(34)33-13-9-21-22(27(35)36)15-19(16-23(21)33)18-6-10-29-11-7-18/h2-8,10-12,15-16,24H,9,13-14H2,1H3,(H,30,31)(H,35,36)
InChIKeyGVLABMGMODTPIZ-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.95
Rot. Bonds7

About 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid

1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid (PubChem CID 67497381) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid
PubChem CID67497381
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC Name1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid
SMILESCN(c1ccn[nH]1)C(Cc1ccc(F)cc1)C(=O)N1CCc2c(C(=O)O)cc(-c3ccncc3)cc21
InChIInChI=1S/C27H24FN5O3/c1-32(25-8-12-30-31-25)24(14-17-2-4-20(28)5-3-17)26(34)33-13-9-21-22(27(35)36)15-19(16-23(21)33)18-6-10-29-11-7-18/h2-8,10-12,15-16,24H,9,13-14H2,1H3,(H,30,31)(H,35,36)
InChIKeyGVLABMGMODTPIZ-UHFFFAOYSA-N
XLogP3.95
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid (CID 67497381) is 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid is CN(c1ccn[nH]1)C(Cc1ccc(F)cc1)C(=O)N1CCc2c(C(=O)O)cc(-c3ccncc3)cc21.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid?
The InChIKey is GVLABMGMODTPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c1-32(25-8-12-30-31-25)24(14-17-2-4-20(28)5-3-17)26(34)33-13-9-21-22(27(35)36)15-19(16-23(21)33)18-6-10-29-11-7-18/h2-8,10-12,15-16,24H,9,13-14H2,1H3,(H,30,31)(H,35,36).
What are the key properties of 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid?
1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid has a molecular weight of 485.52 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-[methyl(1H-pyrazol-5-yl)amino]propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid is sourced from PubChem (CID 67497381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).