3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one

C33H30FN7O3 — CID 163210916

IUPAC3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one
SMILESCOc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6cc(C)c(F)c(C)c6)c(-n6cc[nH]c6=O)c5C4)cc3c2)c1C
InChIInChI=1S/C33H30FN7O3/c1-18-13-23(14-19(2)29(18)34)41-31(40-12-10-36-33(40)43)25-17-39(11-8-27(25)38-41)32(42)28-16-22-15-21(5-6-26(22)37-28)24-7-9-35-30(44-4)20(24)3/h5-7,9-10,12-16,37H,8,11,17H2,1-4H3,(H,36,43)
InChIKeyQBDIJQKSYKMWBY-UHFFFAOYSA-N
MW591.65 g/mol
LogP5.17
Rot. Bonds5

About 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one

3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one (PubChem CID 163210916) has the molecular formula C33H30FN7O3 and a molecular weight of 591.65 g/mol. Its IUPAC name is 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one
PubChem CID163210916
Molecular FormulaC33H30FN7O3
Molecular Weight591.65 g/mol
Exact Mass591.24
IUPAC Name3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one
SMILESCOc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6cc(C)c(F)c(C)c6)c(-n6cc[nH]c6=O)c5C4)cc3c2)c1C
InChIInChI=1S/C33H30FN7O3/c1-18-13-23(14-19(2)29(18)34)41-31(40-12-10-36-33(40)43)25-17-39(11-8-27(25)38-41)32(42)28-16-22-15-21(5-6-26(22)37-28)24-7-9-35-30(44-4)20(24)3/h5-7,9-10,12-16,37H,8,11,17H2,1-4H3,(H,36,43)
InChIKeyQBDIJQKSYKMWBY-UHFFFAOYSA-N
XLogP5.17
TPSA113.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.65
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one (CID 163210916) is 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one is COc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6cc(C)c(F)c(C)c6)c(-n6cc[nH]c6=O)c5C4)cc3c2)c1C.
What is the InChIKey of 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one?
The InChIKey is QBDIJQKSYKMWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN7O3/c1-18-13-23(14-19(2)29(18)34)41-31(40-12-10-36-33(40)43)25-17-39(11-8-27(25)38-41)32(42)28-16-22-15-21(5-6-26(22)37-28)24-7-9-35-30(44-4)20(24)3/h5-7,9-10,12-16,37H,8,11,17H2,1-4H3,(H,36,43).
What are the key properties of 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one?
3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one has a molecular weight of 591.65 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(2-methoxy-3-methyl-4-pyridinyl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one is sourced from PubChem (CID 163210916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).