2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one

C23H23N9O2 — CID 138662183

About 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one

2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one (PubChem CID 138662183) has the molecular formula C23H23N9O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

• Compound Name: 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
• PubChem CID: 138662183
• Molecular Formula: C23H23N9O2
• Molecular Weight: 457.50 g/mol
• Exact Mass: 457.20
• IUPAC Name: 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one
• SMILES: Cn1cc2[nH]c(=O)c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c(NCc3ncccn3)c2n1
• InChI: InChI=1S/C23H23N9O2/c1-31-13-17-20(30-31)21(26-12-18-24-5-2-6-25-18)19(23(33)29-17)22-27-15-4-3-14(11-16(15)28-22)32-7-9-34-10-8-32/h2-6,11,13,26H,7-10,12H2,1H3,(H,27,28)(H,29,33)
• InChIKey: ZFJBRBDDIFZXIG-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 129.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.50
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one?

The IUPAC name of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one (CID 138662183) is 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one.

What is the SMILES notation for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one?

The canonical SMILES for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one is Cn1cc2[nH]c(=O)c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)c(NCc3ncccn3)c2n1.

What is the InChIKey of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one?

The InChIKey is ZFJBRBDDIFZXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O2/c1-31-13-17-20(30-31)21(26-12-18-24-5-2-6-25-18)19(23(33)29-17)22-27-15-4-3-14(11-16(15)28-22)32-7-9-34-10-8-32/h2-6,11,13,26H,7-10,12H2,1H3,(H,27,28)(H,29,33).

What are the key properties of 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one?

2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 457.50 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-7-(pyrimidin-2-ylmethylamino)-4H-pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 138662183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).