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

C23H19N3O2 — CID 90152575

IUPAC5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28)
InChIKeyZPJYCWKFQUNLAE-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.34
Rot. Bonds5

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

5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (PubChem CID 90152575) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
PubChem CID90152575
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28)
InChIKeyZPJYCWKFQUNLAE-UHFFFAOYSA-N
XLogP5.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266
5-(Cyclopropylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942342
5-(2-Phenylethylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942347
5-(3-Phenylpropylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942437
1-[(2-amino-4-pyridyl)methyl]-5-cyclopropyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56950587
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-[6-[6-(Propan-2-ylamino)indol-1-yl]pyrazin-2-yl]benzoic acid
CID 145970125
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid (CID 90152575) is 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZPJYCWKFQUNLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(28)20-13-17(15-6-7-15)14-24-22(20)25-18-8-9-21-16(12-18)10-11-26(21)19-4-2-1-3-5-19/h1-5,8-15H,6-7H2,(H,24,25)(H,27,28).
What are the key properties of 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-phenylindol-5-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90152575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).