N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide

C23H20ClF3N4O3 — CID 134278998

IUPACN-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)c3c2cnn3C)cc1Cl
InChIInChI=1S/C23H20ClF3N4O3/c1-30-20-17(29-21(32)14-5-3-4-6-15(14)23(25,26)27)9-10-31(18(20)12-28-30)22(33)13-7-8-19(34-2)16(24)11-13/h3-8,11-12,17H,9-10H2,1-2H3,(H,29,32)
InChIKeyNERBDXRXTNJNQG-UHFFFAOYSA-N
MW492.89 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide

N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide (PubChem CID 134278998) has the molecular formula C23H20ClF3N4O3 and a molecular weight of 492.89 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
PubChem CID134278998
Molecular FormulaC23H20ClF3N4O3
Molecular Weight492.89 g/mol
Exact Mass492.12
IUPAC NameN-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)c3c2cnn3C)cc1Cl
InChIInChI=1S/C23H20ClF3N4O3/c1-30-20-17(29-21(32)14-5-3-4-6-15(14)23(25,26)27)9-10-31(18(20)12-28-30)22(33)13-7-8-19(34-2)16(24)11-13/h3-8,11-12,17H,9-10H2,1-2H3,(H,29,32)
InChIKeyNERBDXRXTNJNQG-UHFFFAOYSA-N
XLogP4.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278747
N-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155510358
4-chloro-N-[2-ethyl-1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]benzamide
CID 45481556
5-Chloro-2-fluoro-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}benzamide
CID 91892684
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-4-methoxybenzamide
CID 155523161
N-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 155524993
2-chloro-N-[(7S)-4-(3,4-dimethoxybenzoyl)-1-propan-2-yl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
CID 134278338
N-[4-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 142712088
US11597728, Example 133
CID 159782378
3-chloro-N-[(2S)-1-(methylamino)-1-oxo-3-[4-[(1,3,5-trimethylpyrazol-4-yl)diazenyl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
CID 154716058
3-chloro-N-[(2S)-3-[4-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]diazenyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-4-propan-2-yloxybenzamide
CID 178301705
N-[(2S)-3-[4-[(1-butanoyl-3,5-dimethylpyrazol-4-yl)diazenyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 178302817

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide (CID 134278998) is N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)c3c2cnn3C)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is NERBDXRXTNJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3/c1-30-20-17(29-21(32)14-5-3-4-6-15(14)23(25,26)27)9-10-31(18(20)12-28-30)22(33)13-7-8-19(34-2)16(24)11-13/h3-8,11-12,17H,9-10H2,1-2H3,(H,29,32).
What are the key properties of N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide?
N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 492.89 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 134278998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).