N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide

C24H23F3N4O4 — CID 134278968

IUPACN-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)c3c2cnn3C)cc1OC
InChIInChI=1S/C24H23F3N4O4/c1-30-21-17(29-22(32)14-5-4-6-16(11-14)24(25,26)27)9-10-31(18(21)13-28-30)23(33)15-7-8-19(34-2)20(12-15)35-3/h4-8,11-13,17H,9-10H2,1-3H3,(H,29,32)
InChIKeyPWMBETWBHCMNOF-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide

N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide (PubChem CID 134278968) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide
PubChem CID134278968
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)c3c2cnn3C)cc1OC
InChIInChI=1S/C24H23F3N4O4/c1-30-21-17(29-22(32)14-5-4-6-16(11-14)24(25,26)27)9-10-31(18(21)13-28-30)23(33)15-7-8-19(34-2)20(12-15)35-3/h4-8,11-13,17H,9-10H2,1-3H3,(H,29,32)
InChIKeyPWMBETWBHCMNOF-UHFFFAOYSA-N
XLogP3.98
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-fluorobenzamide
CID 134278979
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-1,3-thiazole-2-carboxamide
CID 134278366
N-[7-chloro-1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134278288
2-chloro-N-[1-methyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278902
2-chloro-N-[4-(2-methoxypyridine-4-carbonyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278343
tert-butyl N-[5-[4-(3,4-dimethoxybenzoyl)-7-[[2-(trifluoromethoxy)benzoyl]amino]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-1-yl]pentyl]carbamate
CID 134607405
2-chloro-N-[1-methyl-4-(3-methylsulfonylbenzoyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278941
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-[(3-methyloxetan-3-yl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278759
2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278958
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278359
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide (CID 134278968) is N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3cccc(C(F)(F)F)c3)c3c2cnn3C)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is PWMBETWBHCMNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-30-21-17(29-22(32)14-5-4-6-16(11-14)24(25,26)27)9-10-31(18(21)13-28-30)23(33)15-7-8-19(34-2)20(12-15)35-3/h4-8,11-13,17H,9-10H2,1-3H3,(H,29,32).
What are the key properties of N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide?
N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 488.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134278968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).