3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

C25H22F3N5O3 — CID 10163797

IUPAC3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)c1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)22-19-11-13-32(17-9-7-16(8-10-17)31-12-2-1-6-20(31)34)24(36)21(19)33(30-22)18-5-3-4-15(14-18)23(29)35/h3-5,7-10,14H,1-2,6,11-13H2,(H2,29,35)
InChIKeyJUIYXEIRXWYRFV-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.71
Rot. Bonds4

About 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (PubChem CID 10163797) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
PubChem CID10163797
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)c1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)22-19-11-13-32(17-9-7-16(8-10-17)31-12-2-1-6-20(31)34)24(36)21(19)33(30-22)18-5-3-4-15(14-18)23(29)35/h3-5,7-10,14H,1-2,6,11-13H2,(H2,29,35)
InChIKeyJUIYXEIRXWYRFV-UHFFFAOYSA-N
XLogP3.71
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10161894
3-[6-[4-[2-(diethylaminomethyl)phenyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
CID 10187890
3-[6-[4-[[2-[ethyl(methyl)amino]acetyl]-methylamino]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;2,2,2-trifluoroacetic acid
CID 86590502
3-[6-[4-[[2-[ethyl(propyl)amino]acetyl]-methylamino]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;2,2,2-trifluoroacetic acid
CID 87940974
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20816131
1-(4-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118087094
3-[6-[4-[[2-[3-(cyclohexen-1-ylmethyl)piperidin-1-yl]acetyl]-ethylamino]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
CID 142250674
3-[6-(4-iodophenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzonitrile
CID 22240469
ethane;1-(4-methylsulfanylphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144843507
1-(2-fluoro-6-methylphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 122498653
1-[4-(7-bicyclo[4.1.0]hepta-1,3,5-trienyloxy)phenyl]-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 144670144
7-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]azepin-8-one
CID 22086932

Frequently Asked Questions

What is the IUPAC name of 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (CID 10163797) is 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is NC(=O)c1cccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)c1.
What is the InChIKey of 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The InChIKey is JUIYXEIRXWYRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c26-25(27,28)22-19-11-13-32(17-9-7-16(8-10-17)31-12-2-1-6-20(31)34)24(36)21(19)33(30-22)18-5-3-4-15(14-18)23(29)35/h3-5,7-10,14H,1-2,6,11-13H2,(H2,29,35).
What are the key properties of 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide has a molecular weight of 497.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 10163797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).