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

C48H62N12O4 — CID 158499300

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

1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (PubChem CID 158499300) has the molecular formula C48H62N12O4 and a molecular weight of 871.10 g/mol. Its IUPAC name is 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.

Molecular Properties

• Compound Name: 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
• PubChem CID: 158499300
• Molecular Formula: C48H62N12O4
• Molecular Weight: 871.10 g/mol
• Exact Mass: 870.50
• IUPAC Name: 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane
• SMILES: C1CCOC1.Cc1ccc2c(n1)nc(CO)n2CCC(C)C.Cc1ccc2c(n1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCC(C)C.O=c1[nH]c2cnccc2n1C1CC1
• InChI: InChI=1S/C22H26N6O.C13H19N3O.C9H9N3O.C4H8O/c1-14(2)9-11-26-18-7-4-15(3)24-21(18)25-20(26)13-27-19-12-23-10-8-17(19)28(22(27)29)16-5-6-16;1-9(2)6-7-16-11-5-4-10(3)14-13(11)15-12(16)8-17;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h4,7-8,10,12,14,16H,5-6,9,11,13H2,1-3H3;4-5,9,17H,6-8H2,1-3H3;3-6H,1-2H2,(H,11,13);1-4H2
• InChIKey: HJRQIQURLYCREL-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 181.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.10
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane (CID 158499300) is 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane.

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

The canonical SMILES for 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is C1CCOC1.Cc1ccc2c(n1)nc(CO)n2CCC(C)C.Cc1ccc2c(n1)nc(Cn1c(=O)n(C3CC3)c3ccncc31)n2CCC(C)C.O=c1[nH]c2cnccc2n1C1CC1.

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

The InChIKey is HJRQIQURLYCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O.C13H19N3O.C9H9N3O.C4H8O/c1-14(2)9-11-26-18-7-4-15(3)24-21(18)25-20(26)13-27-19-12-23-10-8-17(19)28(22(27)29)16-5-6-16;1-9(2)6-7-16-11-5-4-10(3)14-13(11)15-12(16)8-17;13-9-11-7-5-10-4-3-8(7)12(9)6-1-2-6;1-2-4-5-3-1/h4,7-8,10,12,14,16H,5-6,9,11,13H2,1-3H3;4-5,9,17H,6-8H2,1-3H3;3-6H,1-2H2,(H,11,13);1-4H2.

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

1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane has a molecular weight of 871.10 g/mol, XLogP of 7.81, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;1-cyclopropyl-3-[[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one;[5-methyl-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methanol;oxolane is sourced from PubChem (CID 158499300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).