methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate

C26H23FN2O2 — CID 158043381

IUPACmethyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(c1)c(-c1ccccc1F)cn2C
InChIInChI=1S/C26H23FN2O2/c1-29-15-22(19-5-3-4-6-23(19)27)20-11-16(7-10-25(20)29)12-24-21(26(30)31-2)13-18(14-28-24)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3
InChIKeyJYKWLSNPKKDAGL-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.63
Rot. Bonds5

About methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate

methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate (PubChem CID 158043381) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate
PubChem CID158043381
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Namemethyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(c1)c(-c1ccccc1F)cn2C
InChIInChI=1S/C26H23FN2O2/c1-29-15-22(19-5-3-4-6-23(19)27)20-11-16(7-10-25(20)29)12-24-21(26(30)31-2)13-18(14-28-24)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3
InChIKeyJYKWLSNPKKDAGL-UHFFFAOYSA-N
XLogP5.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

Indocate
CID 65776
Methyl 1-methyl-1H-indole-3-carboxylate
CID 842006
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-5-carboxylate
CID 11516830
methyl 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carboxylate
CID 11632670
5-(methoxymethyl)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 24768508
(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
methyl 1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indole-5-carboxylate
CID 5327679
2-[3-Cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid
CID 51353128
Ethyl 4-[benzyl(methyl)amino]-6-methylquinoline-3-carboxylate
CID 696527
1-[1-Naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester
CID 2016258
Methyl 1-(3-methylbenzoyl)-1H-indole-3-carboxylate
CID 3146123
1-Cyclohexyl-2-phenylindolizine-6-carboxylic acid
CID 16072892

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate (CID 158043381) is methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate is COC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(c1)c(-c1ccccc1F)cn2C.
What is the InChIKey of methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate?
The InChIKey is JYKWLSNPKKDAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c1-29-15-22(19-5-3-4-6-23(19)27)20-11-16(7-10-25(20)29)12-24-21(26(30)31-2)13-18(14-28-24)17-8-9-17/h3-7,10-11,13-15,17H,8-9,12H2,1-2H3.
What are the key properties of methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate?
methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate has a molecular weight of 414.48 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-[[3-(2-fluorophenyl)-1-methylindol-5-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 158043381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).