2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C31H35F3N6O4 — CID 58630053

IUPAC2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C31H35F3N6O4/c1-36(2)28(41)19-6-8-21(9-7-19)39-17-14-23-26(30(39)43)40(35-27(23)31(32,33)34)25-11-10-22(44-5)18-24(25)29(42)38(4)20-12-15-37(3)16-13-20/h6-11,18,20H,12-17H2,1-5H3
InChIKeyZEWDDKQCBKYKDF-UHFFFAOYSA-N
MW612.65 g/mol
LogP3.97
Rot. Bonds6

About 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 58630053) has the molecular formula C31H35F3N6O4 and a molecular weight of 612.65 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID58630053
Molecular FormulaC31H35F3N6O4
Molecular Weight612.65 g/mol
Exact Mass612.27
IUPAC Name2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C31H35F3N6O4/c1-36(2)28(41)19-6-8-21(9-7-19)39-17-14-23-26(30(39)43)40(35-27(23)31(32,33)34)25-11-10-22(44-5)18-24(25)29(42)38(4)20-12-15-37(3)16-13-20/h6-11,18,20H,12-17H2,1-5H3
InChIKeyZEWDDKQCBKYKDF-UHFFFAOYSA-N
XLogP3.97
TPSA91.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.65
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 58630053) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N(C)C2CCN(C)CC2)c1.
What is the InChIKey of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is ZEWDDKQCBKYKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F3N6O4/c1-36(2)28(41)19-6-8-21(9-7-19)39-17-14-23-26(30(39)43)40(35-27(23)31(32,33)34)25-11-10-22(44-5)18-24(25)29(42)38(4)20-12-15-37(3)16-13-20/h6-11,18,20H,12-17H2,1-5H3.
What are the key properties of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 612.65 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 58630053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).