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

C26H26Cl2N4O3 — CID 134278958

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

2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (PubChem CID 134278958) has the molecular formula C26H26Cl2N4O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
• PubChem CID: 134278958
• Molecular Formula: C26H26Cl2N4O3
• Molecular Weight: 513.43 g/mol
• Exact Mass: 512.14
• IUPAC Name: 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide
• SMILES: COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C2CCCC2)cc1Cl
• InChI: InChI=1S/C26H26Cl2N4O3/c1-35-23-11-10-16(14-20(23)28)26(34)31-13-12-21(30-25(33)18-8-4-5-9-19(18)27)24-22(31)15-29-32(24)17-6-2-3-7-17/h4-5,8-11,14-15,17,21H,2-3,6-7,12-13H2,1H3,(H,30,33)
• InChIKey: MOKGSHZIDJFPFN-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.43
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The IUPAC name of 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide (CID 134278958) is 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide.

What is the SMILES notation for 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The canonical SMILES for 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C2CCCC2)cc1Cl.

What is the InChIKey of 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

The InChIKey is MOKGSHZIDJFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3/c1-35-23-11-10-16(14-20(23)28)26(34)31-13-12-21(30-25(33)18-8-4-5-9-19(18)27)24-22(31)15-29-32(24)17-6-2-3-7-17/h4-5,8-11,14-15,17,21H,2-3,6-7,12-13H2,1H3,(H,30,33).

What are the key properties of 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide?

2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide has a molecular weight of 513.43 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[4-(3-chloro-4-methoxybenzoyl)-1-cyclopentyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-7-yl]benzamide is sourced from PubChem (CID 134278958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).