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

C24H38FN5O — CID 142310140

IUPACethane;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
SMILESCC.CC.CC.Cc1cc(-n2nc3c(c2-n2cc[nH]c2=O)[C@H](C)NCC3)cc(C)c1F
InChIInChI=1S/C18H20FN5O.3C2H6/c1-10-8-13(9-11(2)16(10)19)24-17(23-7-6-21-18(23)25)15-12(3)20-5-4-14(15)22-24;3*1-2/h6-9,12,20H,4-5H2,1-3H3,(H,21,25);3*1-2H3/t12-;;;/m0.../s1
InChIKeySFJCLXZDWLZKER-JNQXMBDASA-N
MW431.60 g/mol
LogP5.39
Rot. Bonds2

About 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

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 (PubChem CID 142310140) has the molecular formula C24H38FN5O and a molecular weight of 431.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID142310140
Molecular FormulaC24H38FN5O
Molecular Weight431.60 g/mol
Exact Mass431.31
IUPAC Nameethane;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
SMILESCC.CC.CC.Cc1cc(-n2nc3c(c2-n2cc[nH]c2=O)[C@H](C)NCC3)cc(C)c1F
InChIInChI=1S/C18H20FN5O.3C2H6/c1-10-8-13(9-11(2)16(10)19)24-17(23-7-6-21-18(23)25)15-12(3)20-5-4-14(15)22-24;3*1-2/h6-9,12,20H,4-5H2,1-3H3,(H,21,25);3*1-2H3/t12-;;;/m0.../s1
InChIKeySFJCLXZDWLZKER-JNQXMBDASA-N
XLogP5.39
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-[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-[(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-(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-[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
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
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-[(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
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-(3-ethenyl-4-fluoro-5-methylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3-(4-fluoro-1-methylindazol-5-yl)imidazol-2-one
CID 177195687
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CC.CC.Cc1cc(-n2nc3c(c2-n2cc[nH]c2=O)[C@H](C)NCC3)cc(C)c1F.
What is the InChIKey of 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?
The InChIKey is SFJCLXZDWLZKER-JNQXMBDASA-N. The full InChI is InChI=1S/C18H20FN5O.3C2H6/c1-10-8-13(9-11(2)16(10)19)24-17(23-7-6-21-18(23)25)15-12(3)20-5-4-14(15)22-24;3*1-2/h6-9,12,20H,4-5H2,1-3H3,(H,21,25);3*1-2H3/t12-;;;/m0.../s1.
What are the key properties of 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?
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 has a molecular weight of 431.60 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142310140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).