1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine

C22H17F3N2O — CID 58149819

IUPAC1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(Cn2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C22H17F3N2O/c1-28-19-8-2-15(3-9-19)14-27-13-11-17-10-12-26-20(21(17)27)16-4-6-18(7-5-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyAIEAHFPAJUEHAH-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.78
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine

1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine (PubChem CID 58149819) has the molecular formula C22H17F3N2O and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
PubChem CID58149819
Molecular FormulaC22H17F3N2O
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(Cn2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C22H17F3N2O/c1-28-19-8-2-15(3-9-19)14-27-13-11-17-10-12-26-20(21(17)27)16-4-6-18(7-5-16)22(23,24)25/h2-13H,14H2,1H3
InChIKeyAIEAHFPAJUEHAH-UHFFFAOYSA-N
XLogP5.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine (CID 58149819) is 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine is COc1ccc(Cn2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is AIEAHFPAJUEHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O/c1-28-19-8-2-15(3-9-19)14-27-13-11-17-10-12-26-20(21(17)27)16-4-6-18(7-5-16)22(23,24)25/h2-13H,14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 382.39 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 58149819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).