1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one

C26H28FN5O3S — CID 170167264

IUPAC1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc(CS(C)(=O)=O)cc4)c2=O)C(C)NCC3)cc(C)c1F
InChIInChI=1S/C26H28FN5O3S/c1-16-13-21(14-17(2)24(16)27)32-25(23-18(3)28-10-9-22(23)29-32)31-12-11-30(26(31)33)20-7-5-19(6-8-20)15-36(4,34)35/h5-8,11-14,18,28H,9-10,15H2,1-4H3
InChIKeyWCZHXKPYKSUMFV-UHFFFAOYSA-N
MW509.61 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one

1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one (PubChem CID 170167264) has the molecular formula C26H28FN5O3S and a molecular weight of 509.61 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one
PubChem CID170167264
Molecular FormulaC26H28FN5O3S
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one
SMILESCc1cc(-n2nc3c(c2-n2ccn(-c4ccc(CS(C)(=O)=O)cc4)c2=O)C(C)NCC3)cc(C)c1F
InChIInChI=1S/C26H28FN5O3S/c1-16-13-21(14-17(2)24(16)27)32-25(23-18(3)28-10-9-22(23)29-32)31-12-11-30(26(31)33)20-7-5-19(6-8-20)15-36(4,34)35/h5-8,11-14,18,28H,9-10,15H2,1-4H3
InChIKeyWCZHXKPYKSUMFV-UHFFFAOYSA-N
XLogP3.32
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[[dimethyl(oxo)-λ6-sulfanylidene]amino]methyl]phenyl]-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
CID 178056850
1-(1,1-dioxo-3,4-dihydro-2H-1λ6,4-benzothiazin-6-yl)-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
CID 176944959
1-[4-diethylphosphoryl-3-(methylamino)phenyl]-3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
CID 164809719
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(6-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 134385320
1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[3-methanimidoyl-4-(methylamino)phenyl]imidazol-2-one
CID 155768181
ethane;3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-imidazol-2-one
CID 142310140
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[1-[(3R)-oxolan-3-yl]indazol-5-yl]imidazol-2-one;hydrochloride
CID 139328234
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(5-fluoro-1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-6-yl)imidazol-2-one
CID 176644971
1-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[6-fluoro-1-(2-methoxyethyl)indazol-5-yl]imidazol-2-one
CID 139328395
4-[4-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-5-oxo-1,2,4-triazol-1-yl]-N,N,3-trimethylbenzenesulfonamide
CID 177252687
1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one
CID 139328413
1-(4-fluoro-1-methylindazol-5-yl)-3-[(4S)-2-(4-fluoro-3-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]imidazol-2-one;hydrochloride
CID 139328412

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one?
The IUPAC name of 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one (CID 170167264) is 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one is Cc1cc(-n2nc3c(c2-n2ccn(-c4ccc(CS(C)(=O)=O)cc4)c2=O)C(C)NCC3)cc(C)c1F.
What is the InChIKey of 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one?
The InChIKey is WCZHXKPYKSUMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3S/c1-16-13-21(14-17(2)24(16)27)32-25(23-18(3)28-10-9-22(23)29-32)31-12-11-30(26(31)33)20-7-5-19(6-8-20)15-36(4,34)35/h5-8,11-14,18,28H,9-10,15H2,1-4H3.
What are the key properties of 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one?
1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one has a molecular weight of 509.61 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-[4-(methylsulfonylmethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 170167264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).