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

C22H18FN3O2 — CID 69097161

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

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

methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 69097161) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID69097161
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC Namemethyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C)c(F)cc23)n1
InChIInChI=1S/C22H18FN3O2/c1-13-9-20-16(11-18(13)23)17(21(26-20)14-5-4-8-24-12-14)10-15-6-3-7-19(25-15)22(27)28-2/h3-9,11-12,26H,10H2,1-2H3
InChIKeyJCPZSKHPKXJGAW-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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 69097161) is methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(C)c(F)cc23)n1.
What is the InChIKey of methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is JCPZSKHPKXJGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-13-9-20-16(11-18(13)23)17(21(26-20)14-5-4-8-24-12-14)10-15-6-3-7-19(25-15)22(27)28-2/h3-9,11-12,26H,10H2,1-2H3.
What are the key properties of methyl 6-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(5-fluoro-6-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-[(5-fluoro-6-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).