1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C31H35F3N6O3 — CID 10188827

IUPAC1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc2c1N(C1CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(N)=O)C4)CC1)C(=O)CO2
InChIInChI=1S/C31H35F3N6O3/c1-20-4-2-5-26-29(20)40(27(41)19-43-26)23-10-15-37(16-11-23)13-3-14-39-25-12-17-38(30(35)42)18-24(25)28(36-39)21-6-8-22(9-7-21)31(32,33)34/h2,4-9,23H,3,10-19H2,1H3,(H2,35,42)
InChIKeyCKXFMDXISPHVIB-UHFFFAOYSA-N
MW596.65 g/mol
LogP4.59
Rot. Bonds6

About 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 10188827) has the molecular formula C31H35F3N6O3 and a molecular weight of 596.65 g/mol. Its IUPAC name is 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID10188827
Molecular FormulaC31H35F3N6O3
Molecular Weight596.65 g/mol
Exact Mass596.27
IUPAC Name1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc2c1N(C1CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(N)=O)C4)CC1)C(=O)CO2
InChIInChI=1S/C31H35F3N6O3/c1-20-4-2-5-26-29(20)40(27(41)19-43-26)23-10-15-37(16-11-23)13-3-14-39-25-12-17-38(30(35)42)18-24(25)28(36-39)21-6-8-22(9-7-21)31(32,33)34/h2,4-9,23H,3,10-19H2,1H3,(H2,35,42)
InChIKeyCKXFMDXISPHVIB-UHFFFAOYSA-N
XLogP4.59
TPSA96.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.65
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 10188827) is 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc2c1N(C1CCN(CCCn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(C(N)=O)C4)CC1)C(=O)CO2.
What is the InChIKey of 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is CKXFMDXISPHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N6O3/c1-20-4-2-5-26-29(20)40(27(41)19-43-26)23-10-15-37(16-11-23)13-3-14-39-25-12-17-38(30(35)42)18-24(25)28(36-39)21-6-8-22(9-7-21)31(32,33)34/h2,4-9,23H,3,10-19H2,1H3,(H2,35,42).
What are the key properties of 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 596.65 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-methyl-3-oxo-1,4-benzoxazin-4-yl)piperidin-1-yl]propyl]-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10188827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).