1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C26H18ClF4N3O2 — CID 146012371

IUPAC1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C26H18ClF4N3O2/c27-19-13-15(1-6-21(19)36-26(29,30)31)14-34-20-9-12-33-25(35)23(20)22(16-2-4-18(28)5-3-16)24(34)17-7-10-32-11-8-17/h1-8,10-11,13H,9,12,14H2,(H,33,35)
InChIKeySUWPTXGKLSTCFW-UHFFFAOYSA-N
MW515.89 g/mol
LogP6.24
Rot. Bonds5

About 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012371) has the molecular formula C26H18ClF4N3O2 and a molecular weight of 515.89 g/mol. Its IUPAC name is 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012371
Molecular FormulaC26H18ClF4N3O2
Molecular Weight515.89 g/mol
Exact Mass515.10
IUPAC Name1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C26H18ClF4N3O2/c27-19-13-15(1-6-21(19)36-26(29,30)31)14-34-20-9-12-33-25(35)23(20)22(16-2-4-18(28)5-3-16)24(34)17-7-10-32-11-8-17/h1-8,10-11,13H,9,12,14H2,(H,33,35)
InChIKeySUWPTXGKLSTCFW-UHFFFAOYSA-N
XLogP6.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.89
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012371) is 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2c1c(-c1ccc(F)cc1)c(-c1ccncc1)n2Cc1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SUWPTXGKLSTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF4N3O2/c27-19-13-15(1-6-21(19)36-26(29,30)31)14-34-20-9-12-33-25(35)23(20)22(16-2-4-18(28)5-3-16)24(34)17-7-10-32-11-8-17/h1-8,10-11,13H,9,12,14H2,(H,33,35).
What are the key properties of 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 515.89 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).