2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C27H22FN9O2 — CID 137313227

About 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 137313227) has the molecular formula C27H22FN9O2 and a molecular weight of 523.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 137313227
• Molecular Formula: C27H22FN9O2
• Molecular Weight: 523.53 g/mol
• Exact Mass: 523.19
• IUPAC Name: 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3n2)c1
• InChI: InChI=1S/C27H22FN9O2/c1-37(2)13-22(39)31-17-8-15(11-29-12-17)20-3-4-21-24(32-20)25(36-35-21)27-33-23-19(5-6-30-26(23)34-27)14-7-16(28)10-18(38)9-14/h3-12,38H,13H2,1-2H3,(H,31,39)(H,35,36)(H,30,33,34)
• InChIKey: VCTIEXHXOANGHM-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 148.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.53
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 137313227) is 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]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-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)c3n2)c1.

What is the InChIKey of 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is VCTIEXHXOANGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN9O2/c1-37(2)13-22(39)31-17-8-15(11-29-12-17)20-3-4-21-24(32-20)25(36-35-21)27-33-23-19(5-6-30-26(23)34-27)14-7-16(28)10-18(38)9-14/h3-12,38H,13H2,1-2H3,(H,31,39)(H,35,36)(H,30,33,34).

What are the key properties of 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 523.53 g/mol, XLogP of 3.97, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[5-[3-[7-(3-fluoro-5-hydroxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 137313227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).