5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

C24H20FN3O2 — CID 157211224

IUPAC5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccncc3F)c21
InChIInChI=1S/C24H20FN3O2/c1-28-7-5-16-8-14(9-19(23(16)28)18-4-6-26-13-21(18)25)10-22-20(24(29)30)11-17(12-27-22)15-2-3-15/h4-9,11-13,15H,2-3,10H2,1H3,(H,29,30)
InChIKeySMQMEKLTDRTPKM-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.94
Rot. Bonds5

About 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid

5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 157211224) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
PubChem CID157211224
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid
SMILESCn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccncc3F)c21
InChIInChI=1S/C24H20FN3O2/c1-28-7-5-16-8-14(9-19(23(16)28)18-4-6-26-13-21(18)25)10-22-20(24(29)30)11-17(12-27-22)15-2-3-15/h4-9,11-13,15H,2-3,10H2,1H3,(H,29,30)
InChIKeySMQMEKLTDRTPKM-UHFFFAOYSA-N
XLogP4.94
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carmoxirole
CID 57364
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
1-benzyl-1H-indole-3-carboxylic acid
CID 33671
1-Methylindole-3-carboxylic acid
CID 854040
[1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-5-yl]methanol
CID 24768507
4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25003075
6-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]pyridine-3-carboxylic acid
CID 141522688
3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
1-benzyl-2,3-dimethyl-1H-indole-7-carboxylic acid
CID 44564825
2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid
CID 164946663
2-[3-Cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353128

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid (CID 157211224) is 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is Cn1ccc2cc(Cc3ncc(C4CC4)cc3C(=O)O)cc(-c3ccncc3F)c21.
What is the InChIKey of 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is SMQMEKLTDRTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-28-7-5-16-8-14(9-19(23(16)28)18-4-6-26-13-21(18)25)10-22-20(24(29)30)11-17(12-27-22)15-2-3-15/h4-9,11-13,15H,2-3,10H2,1H3,(H,29,30).
What are the key properties of 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 401.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[7-(3-fluoro-4-pyridinyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157211224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).