5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid

C21H22N2O2 — CID 157373136

IUPAC5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCC(C)n1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C21H22N2O2/c1-13(2)23-8-7-16-9-14(3-6-20(16)23)10-19-18(21(24)25)11-17(12-22-19)15-4-5-15/h3,6-9,11-13,15H,4-5,10H2,1-2H3,(H,24,25)
InChIKeySIBRQZUJEZDNGW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.78
Rot. Bonds5

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

5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 157373136) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
PubChem CID157373136
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
SMILESCC(C)n1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)ccc21
InChIInChI=1S/C21H22N2O2/c1-13(2)23-8-7-16-9-14(3-6-20(16)23)10-19-18(21(24)25)11-17(12-22-19)15-4-5-15/h3,6-9,11-13,15H,4-5,10H2,1-2H3,(H,24,25)
InChIKeySIBRQZUJEZDNGW-UHFFFAOYSA-N
XLogP4.78
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid
CID 160606410
5-cyclopropyl-2-[[1-(2-phenylethyl)indol-5-yl]methyl]pyridine-3-carboxylic acid;1-(2-phenylethyl)indol-5-amine
CID 162134508
methyl 5-cyclopropyl-2-[[1-(2-methylpropyl)indazol-5-yl]methyl]pyridine-3-carboxylate
CID 159559582
methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate
CID 159954471
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
2-[[7-(cyclohexen-1-yl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 158294578
tert-butyl 5-cyclopropyl-2-[(1-propan-2-ylindol-4-yl)methyl]pyridine-3-carboxylate
CID 159249396
5-cyclopropyl-2-[[3-(2-methoxyphenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
CID 159437384
2-[[3-(3-cyanophenyl)-1-methylindol-5-yl]methyl]-5-cyclopropylpyridine-3-carboxylic acid
CID 160631724
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
CID 115114963
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
CID 159831646
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid (CID 157373136) is 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid is CC(C)n1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)ccc21.
What is the InChIKey of 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is SIBRQZUJEZDNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)23-8-7-16-9-14(3-6-20(16)23)10-19-18(21(24)25)11-17(12-22-19)15-4-5-15/h3,6-9,11-13,15H,4-5,10H2,1-2H3,(H,24,25).
What are the key properties of 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157373136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).