(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

C30H24F4N4O2 — CID 162687044

IUPAC(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESC[C@H](C(=O)Nc1cc(-c2[nH]c3c(CC(F)(F)F)cn(C)c(=O)c3c2-c2ccccc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C30H24F4N4O2/c1-17(18-8-10-22(31)11-9-18)28(39)36-23-14-20(12-13-35-23)26-24(19-6-4-3-5-7-19)25-27(37-26)21(15-30(32,33)34)16-38(2)29(25)40/h3-14,16-17,37H,15H2,1-2H3,(H,35,36,39)/t17-/m0/s1
InChIKeyVTTNWVNGYMKTFA-KRWDZBQOSA-N
MW548.54 g/mol
LogP6.58
Rot. Bonds6

About (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (PubChem CID 162687044) has the molecular formula C30H24F4N4O2 and a molecular weight of 548.54 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
PubChem CID162687044
Molecular FormulaC30H24F4N4O2
Molecular Weight548.54 g/mol
Exact Mass548.18
IUPAC Name(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESC[C@H](C(=O)Nc1cc(-c2[nH]c3c(CC(F)(F)F)cn(C)c(=O)c3c2-c2ccccc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C30H24F4N4O2/c1-17(18-8-10-22(31)11-9-18)28(39)36-23-14-20(12-13-35-23)26-24(19-6-4-3-5-7-19)25-27(37-26)21(15-30(32,33)34)16-38(2)29(25)40/h3-14,16-17,37H,15H2,1-2H3,(H,35,36,39)/t17-/m0/s1
InChIKeyVTTNWVNGYMKTFA-KRWDZBQOSA-N
XLogP6.58
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.54
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[4-[3-(4-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
CID 162687217
2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
CID 162686978
N-[4-[3-(2-chlorophenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]-2-(4-fluorophenyl)propanamide
CID 162687194
(2S)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-2-pyridin-4-ylpropanamide
CID 162687013
(2R)-4,4-difluoro-2-(4-fluorophenyl)-N-[4-(5-methyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]butanamide
CID 162687125
N-[4-(5,7-dimethyl-4-oxo-3-phenyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-4,4-difluoro-2-(4-fluorophenyl)butanamide
CID 162687222
(2R)-4,4,4-trifluoro-2-(4-fluorophenyl)-N-[4-(7-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-2-pyridinyl]butanamide
CID 162687276
(2S)-N-[4-(4-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-phenylpropanamide
CID 174678732
2-(4-fluorophenyl)-N-[4-(6-fluoro-3-phenyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]acetamide
CID 162687627
2-(4-fluorophenyl)-3-oxo-3-[[4-(3-pyrimidin-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-pyridinyl]amino]propanoic acid
CID 170305254
N-[4-(3-anilino-5,7-dimethyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-4,4-difluoro-2-(4-fluorophenyl)butanamide
CID 162686847
N-[4-[2-(4-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]-2-methylbutanamide
CID 129017983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (CID 162687044) is (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is C[C@H](C(=O)Nc1cc(-c2[nH]c3c(CC(F)(F)F)cn(C)c(=O)c3c2-c2ccccc2)ccn1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is VTTNWVNGYMKTFA-KRWDZBQOSA-N. The full InChI is InChI=1S/C30H24F4N4O2/c1-17(18-8-10-22(31)11-9-18)28(39)36-23-14-20(12-13-35-23)26-24(19-6-4-3-5-7-19)25-27(37-26)21(15-30(32,33)34)16-38(2)29(25)40/h3-14,16-17,37H,15H2,1-2H3,(H,35,36,39)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
(2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 548.54 g/mol, XLogP of 6.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-phenyl-7-(2,2,2-trifluoroethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 162687044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).