5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

C30H37F3N8O4S — CID 10233406

IUPAC5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2n1
InChIInChI=1S/C30H37F3N8O4S/c1-37(2)26-9-8-24-28(35-26)41(29(43)34-24)21-10-13-38(14-11-21)16-22(42)17-40-25-12-15-39(46(3,44)45)18-23(25)27(36-40)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,42H,10-18H2,1-3H3,(H,34,43)
InChIKeyIUGKAAXMZDREEY-UHFFFAOYSA-N
MW662.74 g/mol
LogP2.69
Rot. Bonds8

About 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 10233406) has the molecular formula C30H37F3N8O4S and a molecular weight of 662.74 g/mol. Its IUPAC name is 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID10233406
Molecular FormulaC30H37F3N8O4S
Molecular Weight662.74 g/mol
Exact Mass662.26
IUPAC Name5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2n1
InChIInChI=1S/C30H37F3N8O4S/c1-37(2)26-9-8-24-28(35-26)41(29(43)34-24)21-10-13-38(14-11-21)16-22(42)17-40-25-12-15-39(46(3,44)45)18-23(25)27(36-40)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,42H,10-18H2,1-3H3,(H,34,43)
InChIKeyIUGKAAXMZDREEY-UHFFFAOYSA-N
XLogP2.69
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

1-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10189260
3-(1-{2-Hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1,5-dimethyl-1,3-dihydro-benzoimidazol-2-one
CID 10211615
7-Methyl-2-[[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-9-[1-(trifluoromethylsulfonyl)piperidin-4-yl]purin-8-one
CID 177381402
(S)-5-Dimethylamino-3-(1-{2-hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1-methyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one
CID 50943347
5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 10146526
1-[5-Methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-3-[4-(5-morpholin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-piperidin-1-yl]-propan-2-ol
CID 10146624
1-[4-[5-(dimethylamino)-1H-pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
CID 10189690
1-[4-[5-(dimethylamino)-1H-pyrrolo[3,2-b]pyridin-3-yl]piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
CID 10189691
1-[4-[6-(dimethylamino)-1H-pyrrolo[3,2-c]pyridin-3-yl]piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
CID 10233189
3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-5-methoxy-1-methylimidazo[4,5-b]pyridin-2-one
CID 10233417
3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 10304526
1-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
CID 10304741

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 10233406) is 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is CN(C)c1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2n1.
What is the InChIKey of 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IUGKAAXMZDREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N8O4S/c1-37(2)26-9-8-24-28(35-26)41(29(43)34-24)21-10-13-38(14-11-21)16-22(42)17-40-25-12-15-39(46(3,44)45)18-23(25)27(36-40)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,42H,10-18H2,1-3H3,(H,34,43).
What are the key properties of 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 662.74 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10233406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).