[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone

C25H33N11O — CID 174664764

About [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone

[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone (PubChem CID 174664764) has the molecular formula C25H33N11O and a molecular weight of 503.62 g/mol. Its IUPAC name is [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone.

Molecular Properties

• Compound Name: [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone
• PubChem CID: 174664764
• Molecular Formula: C25H33N11O
• Molecular Weight: 503.62 g/mol
• Exact Mass: 503.29
• IUPAC Name: [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone
• SMILES: CNc1nn(NC)c(NC)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1
• InChI: InChI=1S/C25H33N11O/c1-26-23-20(25(27-2)36(28-3)33-23)18-14-15(8-11-29-18)21(37)24-30-17-6-7-19(31-22(17)32-24)35-12-9-16(10-13-35)34(4)5/h6-8,11,14,16,27-28H,9-10,12-13H2,1-5H3,(H,26,33)(H,30,31,32)
• InChIKey: BCHMXRFUUGRZGW-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 131.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.62
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone?

The IUPAC name of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone (CID 174664764) is [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone.

What is the SMILES notation for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone?

The canonical SMILES for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone is CNc1nn(NC)c(NC)c1-c1cc(C(=O)c2nc3nc(N4CCC(N(C)C)CC4)ccc3[nH]2)ccn1.

What is the InChIKey of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone?

The InChIKey is BCHMXRFUUGRZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N11O/c1-26-23-20(25(27-2)36(28-3)33-23)18-14-15(8-11-29-18)21(37)24-30-17-6-7-19(31-22(17)32-24)35-12-9-16(10-13-35)34(4)5/h6-8,11,14,16,27-28H,9-10,12-13H2,1-5H3,(H,26,33)(H,30,31,32).

What are the key properties of [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone?

[5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone has a molecular weight of 503.62 g/mol, XLogP of 2.23, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-[2-[1,3,5-tris(methylamino)pyrazol-4-yl]-4-pyridinyl]methanone is sourced from PubChem (CID 174664764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).