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

C23H23ClN4O4 — CID 134278747

IUPAC2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)cc1OC
InChIInChI=1S/C23H23ClN4O4/c1-27-21-17(26-22(29)15-6-4-5-7-16(15)24)10-11-28(18(21)13-25-27)23(30)14-8-9-19(31-2)20(12-14)32-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,26,29)
InChIKeyUJNOFOQNIIONRX-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.61
Rot. Bonds5

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

2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 134278747) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
PubChem CID134278747
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)cc1OC
InChIInChI=1S/C23H23ClN4O4/c1-27-21-17(26-22(29)15-6-4-5-7-16(15)24)10-11-28(18(21)13-25-27)23(30)14-8-9-19(31-2)20(12-14)32-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,26,29)
InChIKeyUJNOFOQNIIONRX-UHFFFAOYSA-N
XLogP3.61
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 4407764
N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,4-dimethoxybenzamide
CID 24791056
N-(6,6-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-yl)-3,4-dimethoxybenzamide
CID 24817083
3-(4-chlorophenyl)-N-[[1-[(3,4-dimethoxyphenyl)methyl]triazol-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134133847
Tert-butyl 4-(4-{[(2H-1,3-benzodioxol-5-YL)methyl]carbamoyl}-1-(2-chlorophenyl)-1H-pyrazol-5-YL)piperidine-1-carboxylate
CID 16024228
N-cyclopropyl-3-({1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}oxy)-4-methoxybenzamide
CID 24794008
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-3,4-dimethoxybenzamide
CID 91892661
5-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-cyclopropyl-1-(3-methoxybenzyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26229652
4-chloro-N-[2-ethyl-1-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]butyl]benzamide
CID 45481556
2-(4-Chlorophenyl)-5-(3,4-dimethoxyphenethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 44589415
US9856220, Example 269
CID 89541904

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 134278747) is 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)cc1OC.
What is the InChIKey of 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
The InChIKey is UJNOFOQNIIONRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-27-21-17(26-22(29)15-6-4-5-7-16(15)24)10-11-28(18(21)13-25-27)23(30)14-8-9-19(31-2)20(12-14)32-3/h4-9,12-13,17H,10-11H2,1-3H3,(H,26,29).
What are the key properties of 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?
2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 454.91 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,4-dimethoxybenzoyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 134278747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).