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

C31H39F3N8O4S — CID 10146526

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]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C31H39F3N8O4S/c1-37(2)27-10-9-26-29(35-27)42(30(44)38(26)3)22-11-14-39(15-12-22)17-23(43)18-41-25-13-16-40(47(4,45)46)19-24(25)28(36-41)20-5-7-21(8-6-20)31(32,33)34/h5-10,22-23,43H,11-19H2,1-4H3
InChIKeyGSNMMRBJVRIWNW-UHFFFAOYSA-N
MW676.77 g/mol
LogP2.70
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]-1-methylimidazo[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]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 10146526) has the molecular formula C31H39F3N8O4S and a molecular weight of 676.77 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]-1-methylimidazo[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]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID10146526
Molecular FormulaC31H39F3N8O4S
Molecular Weight676.77 g/mol
Exact Mass676.28
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]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCN(C)c1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C31H39F3N8O4S/c1-37(2)27-10-9-26-29(35-27)42(30(44)38(26)3)22-11-14-39(15-12-22)17-23(43)18-41-25-13-16-40(47(4,45)46)19-24(25)28(36-41)20-5-7-21(8-6-20)31(32,33)34/h5-10,22-23,43H,11-19H2,1-4H3
InChIKeyGSNMMRBJVRIWNW-UHFFFAOYSA-N
XLogP2.70
TPSA121.73 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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]-1-methylimidazo[4,5-b]pyridin-2-one with MolForge

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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]-1-methylimidazo[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]-1-methylimidazo[4,5-b]pyridin-2-one (CID 10146526) 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]-1-methylimidazo[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]-1-methylimidazo[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]-1-methylimidazo[4,5-b]pyridin-2-one is CN(C)c1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C.
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]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is GSNMMRBJVRIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F3N8O4S/c1-37(2)27-10-9-26-29(35-27)42(30(44)38(26)3)22-11-14-39(15-12-22)17-23(43)18-41-25-13-16-40(47(4,45)46)19-24(25)28(36-41)20-5-7-21(8-6-20)31(32,33)34/h5-10,22-23,43H,11-19H2,1-4H3.
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]-1-methylimidazo[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]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 676.77 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 11 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]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10146526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).