(4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C26H22N6O — CID 156528753

About (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 156528753) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 156528753
• Molecular Formula: C26H22N6O
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.19
• IUPAC Name: (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CCc3nc(-c4n[nH]c5ccc(-c6cccnc6)cc45)[nH]c3C2)cc1
• InChI: InChI=1S/C26H22N6O/c1-16-4-6-17(7-5-16)26(33)32-12-10-22-23(15-32)29-25(28-22)24-20-13-18(8-9-21(20)30-31-24)19-3-2-11-27-14-19/h2-9,11,13-14H,10,12,15H2,1H3,(H,28,29)(H,30,31)
• InChIKey: DYFCSOWIVQZSFH-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 156528753) is (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1ccc(C(=O)N2CCc3nc(-c4n[nH]c5ccc(-c6cccnc6)cc45)[nH]c3C2)cc1.

What is the InChIKey of (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is DYFCSOWIVQZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-16-4-6-17(7-5-16)26(33)32-12-10-22-23(15-32)29-25(28-22)24-20-13-18(8-9-21(20)30-31-24)19-3-2-11-27-14-19/h2-9,11,13-14H,10,12,15H2,1H3,(H,28,29)(H,30,31).

What are the key properties of (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

(4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylphenyl)-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 156528753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).