N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide

C23H21F3N4O3 — CID 23635264

IUPACN-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1
InChIInChI=1S/C23H21F3N4O3/c1-14(31)28(2)15-4-6-16(7-5-15)29-13-12-19-20(22(29)32)30(27-21(19)23(24,25)26)17-8-10-18(33-3)11-9-17/h4-11H,12-13H2,1-3H3
InChIKeyJEEDSFZNOOUNBM-UHFFFAOYSA-N
MW458.44 g/mol
LogP4.09
Rot. Bonds4

About N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide

N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide (PubChem CID 23635264) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide
PubChem CID23635264
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC NameN-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1
InChIInChI=1S/C23H21F3N4O3/c1-14(31)28(2)15-4-6-16(7-5-15)29-13-12-19-20(22(29)32)30(27-21(19)23(24,25)26)17-8-10-18(33-3)11-9-17/h4-11H,12-13H2,1-3H3
InChIKeyJEEDSFZNOOUNBM-UHFFFAOYSA-N
XLogP4.09
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Apixaban
CID 10182969
1-(4-methoxyphenyl)-6-(4-{2-[(methylamino)methyl]phenyl}phenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10116752
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10117541
6-{4-[2-(aminomethyl)phenyl]phenyl}-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 10139899
6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 10208201
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}piperidin-2-one
CID 10299701
1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}azepan-2-one
CID 10300491
6-[4-(2-{[bis(2-hydroxyethyl)amino]methyl}phenyl)phenyl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 20872059
1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
CID 24836819
6-(4-{2-[(diethylamino)methyl]phenyl}phenyl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23636369

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide (CID 23635264) is N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1.
What is the InChIKey of N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide?
The InChIKey is JEEDSFZNOOUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14(31)28(2)15-4-6-16(7-5-15)29-13-12-19-20(22(29)32)30(27-21(19)23(24,25)26)17-8-10-18(33-3)11-9-17/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide?
N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide has a molecular weight of 458.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 23635264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).