5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid

C23H19N3O2 — CID 90153154

IUPAC5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2cccnc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-16(15-3-4-15)5-7-21(20)25-18-6-8-22-17(12-18)9-11-26(22)19-2-1-10-24-14-19/h1-2,5-15,25H,3-4H2,(H,27,28)
InChIKeySZQRTDSSXAGPEM-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.34
Rot. Bonds5

About 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid

5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid (PubChem CID 90153154) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
PubChem CID90153154
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2cccnc2)c1
InChIInChI=1S/C23H19N3O2/c27-23(28)20-13-16(15-3-4-15)5-7-21(20)25-18-6-8-22-17(12-18)9-11-26(22)19-2-1-10-24-14-19/h1-2,5-15,25H,3-4H2,(H,27,28)
InChIKeySZQRTDSSXAGPEM-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

5-chloro-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid
CID 90152581
methyl 5-cyclopropyl-2-[[2-[[2-[3-methoxycarbonyl-4-[(1-pyridin-3-ylindol-5-yl)amino]phenyl]cyclopropyl]methyl]-1H-indol-5-yl]amino]benzoate
CID 138501295
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoate
CID 158615651
methyl 5-cyclopropyl-2-[[1-(4-hydroxyphenyl)indol-5-yl]amino]benzoate
CID 144619139
2-[(1-benzylindol-5-yl)amino]-5-cyclopentylbenzoic acid
CID 90153225
2-[(6-bromo-3-pyridinyl)amino]-5-cyclopropylbenzoic acid
CID 87383887
5-cyclopropyl-2-[[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]indol-5-yl]amino]benzoic acid
CID 90152573
5-[5-(2-carboxy-4-chloroanilino)indol-1-yl]-2-chlorobenzoic acid;methane
CID 144618913
5-cyclopropyl-2-[[1-(pyridin-4-ylmethyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90152618
5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoate
CID 161345289
methyl 5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)amino]benzoate
CID 90152586
methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate
CID 67395037

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid (CID 90153154) is 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Nc1ccc2c(ccn2-c2cccnc2)c1.
What is the InChIKey of 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid?
The InChIKey is SZQRTDSSXAGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(28)20-13-16(15-3-4-15)5-7-21(20)25-18-6-8-22-17(12-18)9-11-26(22)19-2-1-10-24-14-19/h1-2,5-15,25H,3-4H2,(H,27,28).
What are the key properties of 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic acid?
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)amino]benzoic 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-pyridin-3-ylindol-5-yl)amino]benzoic acid is sourced from PubChem (CID 90153154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).