1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane

C44H52F2N12O4 — CID 157192653

About 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane

1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (PubChem CID 157192653) has the molecular formula C44H52F2N12O4 and a molecular weight of 850.98 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
• PubChem CID: 157192653
• Molecular Formula: C44H52F2N12O4
• Molecular Weight: 850.98 g/mol
• Exact Mass: 850.42
• IUPAC Name: 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
• SMILES: C1CCOC1.O=c1[nH]c2cnccc2n1C1CC1.O=c1n(Cc2nc3ncccc3n2CCCCF)c2cnccc2n1C1CC1.OCc1nc2ncccc2n1CCCCF
• InChI: InChI=1S/C20H21FN6O.C11H14FN3O.C9H9N3O.C4H8O/c21-8-1-2-11-25-16-4-3-9-23-19(16)24-18(25)13-26-17-12-22-10-7-15(17)27(20(26)28)14-5-6-14;12-5-1-2-7-15-9-4-3-6-13-11(9)14-10(15)8-16;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h3-4,7,9-10,12,14H,1-2,5-6,8,11,13H2;3-4,6,16H,1-2,5,7-8H2;3-6H,1-2H2,(H,11,13);1-4H2
• InChIKey: APWPRGVECUKJKZ-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 181.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	850.98
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?

The IUPAC name of 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (CID 157192653) is 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.

What is the SMILES notation for 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?

The canonical SMILES for 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is C1CCOC1.O=c1[nH]c2cnccc2n1C1CC1.O=c1n(Cc2nc3ncccc3n2CCCCF)c2cnccc2n1C1CC1.OCc1nc2ncccc2n1CCCCF.

What is the InChIKey of 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?

The InChIKey is APWPRGVECUKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O.C11H14FN3O.C9H9N3O.C4H8O/c21-8-1-2-11-25-16-4-3-9-23-19(16)24-18(25)13-26-17-12-22-10-7-15(17)27(20(26)28)14-5-6-14;12-5-1-2-7-15-9-4-3-6-13-11(9)14-10(15)8-16;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h3-4,7,9-10,12,14H,1-2,5-6,8,11,13H2;3-4,6,16H,1-2,5,7-8H2;3-6H,1-2H2,(H,11,13);1-4H2.

What are the key properties of 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane?

1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane has a molecular weight of 850.98 g/mol, XLogP of 6.61, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;[1-(4-fluorobutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is sourced from PubChem (CID 157192653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).