N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide

C24H22F3N5O4 — CID 58630138

IUPACN-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)NCC3)c(C(=O)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H22F3N5O4/c1-36-15-7-8-18(32-20-16(9-10-28-23(20)35)21(31-32)24(25,26)27)17(11-15)22(34)30-13-19(33)29-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,28,35)(H,29,33)(H,30,34)
InChIKeyYCEGICXAMPPQAT-UHFFFAOYSA-N
MW501.47 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide

N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide (PubChem CID 58630138) has the molecular formula C24H22F3N5O4 and a molecular weight of 501.47 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide
PubChem CID58630138
Molecular FormulaC24H22F3N5O4
Molecular Weight501.47 g/mol
Exact Mass501.16
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)NCC3)c(C(=O)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H22F3N5O4/c1-36-15-7-8-18(32-20-16(9-10-28-23(20)35)21(31-32)24(25,26)27)17(11-15)22(34)30-13-19(33)29-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,28,35)(H,29,33)(H,30,34)
InChIKeyYCEGICXAMPPQAT-UHFFFAOYSA-N
XLogP2.23
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 58630198
N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide
CID 58630077
2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide
CID 59730516
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4229933
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52764158
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
4-[1-[2-(4-formylpiperazine-1-carbonyl)-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630180
N-(2-hydroxyphenyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
CID 58630067
3-methoxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 121091966
4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
CID 58630111
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide (CID 58630138) is N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)NCC3)c(C(=O)NCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide?
The InChIKey is YCEGICXAMPPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O4/c1-36-15-7-8-18(32-20-16(9-10-28-23(20)35)21(31-32)24(25,26)27)17(11-15)22(34)30-13-19(33)29-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12-13H2,1H3,(H,28,35)(H,29,33)(H,30,34).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide?
N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide has a molecular weight of 501.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-5-methoxy-2-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-pyrazolo[5,4-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 58630138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).