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

C30H36F3N7O5S — CID 10233417

IUPAC3-[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
SMILESCOc1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C30H36F3N7O5S/c1-36-25-8-9-26(45-2)34-28(25)40(29(36)42)21-10-13-37(14-11-21)16-22(41)17-39-24-12-15-38(46(3,43)44)18-23(24)27(35-39)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,41H,10-18H2,1-3H3
InChIKeySAUHEEDSRFEWQU-UHFFFAOYSA-N
MW663.72 g/mol
LogP2.64
Rot. Bonds8

About 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

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 (PubChem CID 10233417) has the molecular formula C30H36F3N7O5S and a molecular weight of 663.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID10233417
Molecular FormulaC30H36F3N7O5S
Molecular Weight663.72 g/mol
Exact Mass663.25
IUPAC Name3-[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
SMILESCOc1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C30H36F3N7O5S/c1-36-25-8-9-26(45-2)34-28(25)40(29(36)42)21-10-13-37(14-11-21)16-22(41)17-39-24-12-15-38(46(3,43)44)18-23(24)27(35-39)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,41H,10-18H2,1-3H3
InChIKeySAUHEEDSRFEWQU-UHFFFAOYSA-N
XLogP2.64
TPSA127.72 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(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 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?
The InChIKey is SAUHEEDSRFEWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N7O5S/c1-36-25-8-9-26(45-2)34-28(25)40(29(36)42)21-10-13-37(14-11-21)16-22(41)17-39-24-12-15-38(46(3,43)44)18-23(24)27(35-39)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,41H,10-18H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 663.72 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10233417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).