2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C27H22FN9O — CID 137088287

About 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137088287) has the molecular formula C27H22FN9O and a molecular weight of 507.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137088287
• Molecular Formula: C27H22FN9O
• Molecular Weight: 507.53 g/mol
• Exact Mass: 507.19
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H22FN9O/c1-37(2)14-22(38)31-18-11-16(12-29-13-18)19-6-7-21-25(32-19)26(36-35-21)27-33-20-8-9-30-23(24(20)34-27)15-4-3-5-17(28)10-15/h3-13H,14H2,1-2H3,(H,31,38)(H,33,34)(H,35,36)
• InChIKey: AWMPOSXVJGWUJA-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 128.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.53
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137088287) is 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccc(F)c6)nccc5[nH]4)c3n2)c1.

What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is AWMPOSXVJGWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN9O/c1-37(2)14-22(38)31-18-11-16(12-29-13-18)19-6-7-21-25(32-19)26(36-35-21)27-33-20-8-9-30-23(24(20)34-27)15-4-3-5-17(28)10-15/h3-13H,14H2,1-2H3,(H,31,38)(H,33,34)(H,35,36).

What are the key properties of 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 507.53 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137088287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).