methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

C22H18FN3O2 — CID 69097172

IUPACmethyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(F)c(C)cc23)n1
InChIInChI=1S/C22H18FN3O2/c1-13-9-16-17(10-15-6-3-7-19(25-15)22(27)28-2)21(14-5-4-8-24-12-14)26-20(16)11-18(13)23/h3-9,11-12,26H,10H2,1-2H3
InChIKeyNYIURDSNPKNSEW-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.45
Rot. Bonds4

About methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 69097172) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID69097172
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Namemethyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(F)c(C)cc23)n1
InChIInChI=1S/C22H18FN3O2/c1-13-9-16-17(10-15-6-3-7-19(25-15)22(27)28-2)21(14-5-4-8-24-12-14)26-20(16)11-18(13)23/h3-9,11-12,26H,10H2,1-2H3
InChIKeyNYIURDSNPKNSEW-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
methyl 6-[(6-ethoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097192
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 69097132
methyl 6-[(6-ethoxy-5-fluoro-2-thiophen-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097186
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
methyl 6-[(5-fluoro-2,3-dimethylphenyl)methyl]pyridine-2-carboxylate
CID 144559796
methyl 6-[(6-ethoxy-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylate
CID 69097001
methyl 6-[[6-(difluoromethoxy)-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylate
CID 144560017
methyl 6-[(2-cyclopropyl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 69097116
methyl 6-[(6-cyclopropyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]-3,4-dihydropyridine-2-carboxylate
CID 90378914
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 69097172) is methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(F)c(C)cc23)n1.
What is the InChIKey of methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is NYIURDSNPKNSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13-9-16-17(10-15-6-3-7-19(25-15)22(27)28-2)21(14-5-4-8-24-12-14)26-20(16)11-18(13)23/h3-9,11-12,26H,10H2,1-2H3.
What are the key properties of methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).