2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone

C26H29N5O2 — CID 167790437

About 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone (PubChem CID 167790437) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone
• PubChem CID: 167790437
• Molecular Formula: C26H29N5O2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.23
• IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)CCC2)N1CCCCC(C2CN(C(=O)c3cncc4[nH]cnc34)C2)C1
• InChI: InChI=1S/C26H29N5O2/c32-25(19-8-7-17-5-3-6-18(17)10-19)30-9-2-1-4-20(13-30)21-14-31(15-21)26(33)22-11-27-12-23-24(22)29-16-28-23/h7-8,10-12,16,20-21H,1-6,9,13-15H2,(H,28,29)
• InChIKey: NVPQSJCVQRPCEM-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone?

The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone (CID 167790437) is 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone.

What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone?

The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1CCCCC(C2CN(C(=O)c3cncc4[nH]cnc34)C2)C1.

What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone?

The InChIKey is NVPQSJCVQRPCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-25(19-8-7-17-5-3-6-18(17)10-19)30-9-2-1-4-20(13-30)21-14-31(15-21)26(33)22-11-27-12-23-24(22)29-16-28-23/h7-8,10-12,16,20-21H,1-6,9,13-15H2,(H,28,29).

What are the key properties of 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone?

2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone has a molecular weight of 443.55 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1H-inden-5-yl-[3-[1-(3H-imidazo[4,5-c]pyridine-7-carbonyl)azetidin-3-yl]azepan-1-yl]methanone is sourced from PubChem (CID 167790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).