5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

C26H24N2O3 — CID 159437384

IUPAC5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1cn(C)c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)cc12
InChIInChI=1S/C26H24N2O3/c1-28-15-22(19-5-3-4-6-25(19)31-2)20-11-16(7-10-24(20)28)12-23-21(26(29)30)13-18(14-27-23)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3,(H,29,30)
InChIKeyXMPXDTOFUISEJY-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.42
Rot. Bonds6

About 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 159437384) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
PubChem CID159437384
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCOc1ccccc1-c1cn(C)c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)cc12
InChIInChI=1S/C26H24N2O3/c1-28-15-22(19-5-3-4-6-25(19)31-2)20-11-16(7-10-24(20)28)12-23-21(26(29)30)13-18(14-27-23)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3,(H,29,30)
InChIKeyXMPXDTOFUISEJY-UHFFFAOYSA-N
XLogP5.42
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3-cyanophenyl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 160631724
methyl 2-[(3-bromo-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate;methyl 5-cyclopropyl-2-[(1-methylindol-5-yl)methyl]pyridine-3-carboxylate
CID 157054014
3-cyclopentyl-1-methylindol-5-amine;methyl 2-[(3-cyclopentyl-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 161330921
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 157373136
methyl 2-[(3-bromo-1H-indol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate;methyl 2-[(3-bromo-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 158582016
5-cyclopropyl-2-[[1-(2-phenylethyl)indol-5-yl]methyl]pyridine-3-carboxylic acid;1-(2-phenylethyl)indol-5-amine
CID 162134508
5-cyclopropyl-2-[[1-methyl-3-(4-methylphenyl)indol-5-yl]amino]pyridine-3-carboxylic acid
CID 90153179
methyl 5-cyclopropyl-2-[[1-(2-methylpropyl)indazol-5-yl]methyl]pyridine-3-carboxylate
CID 159559582
5-cyclopropyl-2-[(7-phenyl-1H-indol-5-yl)methyl]pyridine-3-carboxylic acid;methyl 5-cyclopropyl-2-[(7-phenyl-1H-indol-5-yl)methyl]pyridine-3-carboxylate
CID 161341013
2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578
4-hydroxy-3-methoxy-5-(1-methylindol-3-yl)benzoic acid
CID 82039848
5-cyclopropyl-2-(2-methoxyphenyl)pyridin-3-amine
CID 83919445

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (CID 159437384) is 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is COc1ccccc1-c1cn(C)c2ccc(Cc3ncc(C4CC4)cc3C(=O)O)cc12.
What is the InChIKey of 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is XMPXDTOFUISEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-28-15-22(19-5-3-4-6-25(19)31-2)20-11-16(7-10-24(20)28)12-23-21(26(29)30)13-18(14-27-23)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3,(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 412.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159437384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).