1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C24H18F5N3O2 — CID 146592755

IUPAC1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ncc21
InChIInChI=1S/C24H18F5N3O2/c1-24(2)17-10-30-20(22(33)31-9-16-18(28)6-15(27)7-19(16)29)8-21(17)32(23(24)34)11-12-3-13(25)5-14(26)4-12/h3-8,10H,9,11H2,1-2H3,(H,31,33)
InChIKeyDMEIRJLOOVCRLB-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.53
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 146592755) has the molecular formula C24H18F5N3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID146592755
Molecular FormulaC24H18F5N3O2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ncc21
InChIInChI=1S/C24H18F5N3O2/c1-24(2)17-10-30-20(22(33)31-9-16-18(28)6-15(27)7-19(16)29)8-21(17)32(23(24)34)11-12-3-13(25)5-14(26)4-12/h3-8,10H,9,11H2,1-2H3,(H,31,33)
InChIKeyDMEIRJLOOVCRLB-UHFFFAOYSA-N
XLogP4.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3-fluoro-3-methyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592779
1-[(3,5-difluorophenyl)methyl]-3-methyl-2-oxo-6-N-[(2,4,6-trifluorophenyl)methyl]indole-3,6-dicarboxamide
CID 142502484
1-[(4-azidophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592702
3,3-dimethyl-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 146592799
1-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 142502572
1-[(2-carbamoyl-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 170071729
methyl 2-[[3,3-dimethyl-2-oxo-6-[(2,4,6-trifluorophenyl)methylcarbamoyl]indol-1-yl]methyl]-3-fluorobenzoate
CID 170074156
N-[(2,4-difluorophenyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-3-methyl-2-oxoindole-6-carboxamide
CID 146592733
4-iodo-3,3-dimethyl-1-[(3-methylphenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]indole-6-carboxamide
CID 137367658
5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
CID 169100410
N-[(4,4-difluorocyclohexyl)methyl]-1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 146592747
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
CID 142502804

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 146592755) is 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is CC1(C)C(=O)N(Cc2cc(F)cc(F)c2)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ncc21.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is DMEIRJLOOVCRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O2/c1-24(2)17-10-30-20(22(33)31-9-16-18(28)6-15(27)7-19(16)29)8-21(17)32(23(24)34)11-12-3-13(25)5-14(26)4-12/h3-8,10H,9,11H2,1-2H3,(H,31,33).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 146592755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).