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

C25H21FN2O2 — CID 159954471

IUPACmethyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2cccc(F)c2)c1
InChIInChI=1S/C25H21FN2O2/c1-30-25(29)22-13-19(17-6-7-17)15-27-23(22)12-16-5-8-24-18(11-16)9-10-28(24)21-4-2-3-20(26)14-21/h2-5,8-11,13-15,17H,6-7,12H2,1H3
InChIKeyLOQWFFGGBYCNMZ-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.42
Rot. Bonds5

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

methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate (PubChem CID 159954471) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate
PubChem CID159954471
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Namemethyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2cccc(F)c2)c1
InChIInChI=1S/C25H21FN2O2/c1-30-25(29)22-13-19(17-6-7-17)15-27-23(22)12-16-5-8-24-18(11-16)9-10-28(24)21-4-2-3-20(26)14-21/h2-5,8-11,13-15,17H,6-7,12H2,1H3
InChIKeyLOQWFFGGBYCNMZ-UHFFFAOYSA-N
XLogP5.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylic acid
CID 160606410
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
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-[[1-(2-methylpropyl)indazol-5-yl]methyl]pyridine-3-carboxylate
CID 159559582
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
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 157373136
methyl 2-[(1-benzyl-4,6-difluoroindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 158695048
methyl 2-[(1-benzyl-6-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 159890108
3-cyclopentyl-1-methylindol-5-amine;methyl 2-[(3-cyclopentyl-1-methylindol-5-yl)methyl]-5-cyclopropylpyridine-3-carboxylate
CID 161330921
methyl 5-cyclopropyl-2-[(1-ethyl-2-phenylindol-5-yl)methyl]pyridine-3-carboxylate;methyl 5-cyclopropyl-2-[(2-phenyl-1H-indol-5-yl)methyl]pyridine-3-carboxylate
CID 158383850
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
methyl 5-cyclopropyl-2-(1H-indol-5-ylmethyl)benzoate;methyl 5-cyclopropyl-2-[[1-(4-methoxyphenyl)indol-5-yl]methyl]benzoate
CID 157162420

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate (CID 159954471) is methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate is COC(=O)c1cc(C2CC2)cnc1Cc1ccc2c(ccn2-c2cccc(F)c2)c1.
What is the InChIKey of methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate?
The InChIKey is LOQWFFGGBYCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c1-30-25(29)22-13-19(17-6-7-17)15-27-23(22)12-16-5-8-24-18(11-16)9-10-28(24)21-4-2-3-20(26)14-21/h2-5,8-11,13-15,17H,6-7,12H2,1H3.
What are the key properties of methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate?
methyl 5-cyclopropyl-2-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate has a molecular weight of 400.45 g/mol, XLogP of 5.42, 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-[[1-(3-fluorophenyl)indol-5-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 159954471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).