2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol

C27H27N9O — CID 137286934

About 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol

2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 137286934) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
• PubChem CID: 137286934
• Molecular Formula: C27H27N9O
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.23
• IUPAC Name: 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol
• SMILES: Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C(C)(C)C)c6)cc45)nc23)cn1
• InChI: InChI=1S/C27H27N9O/c1-15-13-36(14-30-15)22-12-29-11-21-24(22)33-25(32-21)23-19-8-16(5-6-20(19)34-35-23)17-7-18(10-28-9-17)31-26(37)27(2,3)4/h5-14,26,31,37H,1-4H3,(H,32,33)(H,34,35)
• InChIKey: YRUPLLRSSIARGY-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 133.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

The IUPAC name of 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol (CID 137286934) is 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol.

What is the SMILES notation for 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

The canonical SMILES for 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol is Cc1cn(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(O)C(C)(C)C)c6)cc45)nc23)cn1.

What is the InChIKey of 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

The InChIKey is YRUPLLRSSIARGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O/c1-15-13-36(14-30-15)22-12-29-11-21-24(22)33-25(32-21)23-19-8-16(5-6-20(19)34-35-23)17-7-18(10-28-9-17)31-26(37)27(2,3)4/h5-14,26,31,37H,1-4H3,(H,32,33)(H,34,35).

What are the key properties of 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol?

2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 493.58 g/mol, XLogP of 4.83, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[[5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 137286934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).