5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid

C27H27N3O2 — CID 90153059

IUPAC5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3)c21
InChIInChI=1S/C27H27N3O2/c1-17(2)16-30-11-10-20-12-22(14-23(25(20)30)19-6-4-3-5-7-19)29-26-24(27(31)32)13-21(15-28-26)18-8-9-18/h3-7,10-15,17-18H,8-9,16H2,1-2H3,(H,28,29)(H,31,32)
InChIKeyVFUJVAWPPQZYNH-UHFFFAOYSA-N
MW425.53 g/mol
LogP6.68
Rot. Bonds7

About 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 90153059) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID90153059
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid
SMILESCC(C)Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3)c21
InChIInChI=1S/C27H27N3O2/c1-17(2)16-30-11-10-20-12-22(14-23(25(20)30)19-6-4-3-5-7-19)29-26-24(27(31)32)13-21(15-28-26)18-8-9-18/h3-7,10-15,17-18H,8-9,16H2,1-2H3,(H,28,29)(H,31,32)
InChIKeyVFUJVAWPPQZYNH-UHFFFAOYSA-N
XLogP6.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
1-[(2-amino-4-pyridyl)methyl]-5-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56950587
5-cyclopropyl-2-((1-phenyl-1H-indol-5-yl)amino)nicotinic acid
CID 90152575
3-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic acid
CID 44392599
4-[2-Amino-4-(1-methyl-1H-indol-3-yl)pyrimidin-5-yl]benzoic acid
CID 45269115
3-[5-[6-[2-(dimethylamino)ethylamino]pyrazin-2-yl]-1H-indol-3-yl]-4-fluorobenzoic acid
CID 145963307
4-[2-[3-(diethylaminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-propan-2-ylbenzoic acid
CID 162661255
2-Cyclopentyl-4-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 164624642
4-Amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
N-(1-(cyclopropylmethyl)-1H-pyrrolo[3,2-c]pyridin-6-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 53354588
6-(3-Cyano-6-fluoro-5-methylindol-1-yl)pyridine-3-carboxylic acid
CID 58437340
6-(3-Cyanoindol-1-yl)pyridine-3-carboxylic acid
CID 58437366

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid (CID 90153059) is 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid is CC(C)Cn1ccc2cc(Nc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccccc3)c21.
What is the InChIKey of 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is VFUJVAWPPQZYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-17(2)16-30-11-10-20-12-22(14-23(25(20)30)19-6-4-3-5-7-19)29-26-24(27(31)32)13-21(15-28-26)18-8-9-18/h3-7,10-15,17-18H,8-9,16H2,1-2H3,(H,28,29)(H,31,32).
What are the key properties of 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 425.53 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-(2-methylpropyl)-7-phenylindol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90153059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).