5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane

C55H76N10O5 — CID 158045118

About 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane

5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane (PubChem CID 158045118) has the molecular formula C55H76N10O5 and a molecular weight of 957.28 g/mol. Its IUPAC name is 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane.

Molecular Properties

• Compound Name: 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane
• PubChem CID: 158045118
• Molecular Formula: C55H76N10O5
• Molecular Weight: 957.28 g/mol
• Exact Mass: 956.60
• IUPAC Name: 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane
• SMILES: C.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCN(C(=O)C5CC5)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCNCC4)c3)nc21.O=C(O)C1CC1
• InChI: InChI=1S/C27H35N5O2.C23H31N5O.C4H6O2.CH4/c1-27(2,3)18-32-23-11-10-22(28-24(23)29(4)26(32)34)21-7-5-6-19(16-21)17-30-12-14-31(15-13-30)25(33)20-8-9-20;1-23(2,3)16-28-20-9-8-19(25-21(20)26(4)22(28)29)18-7-5-6-17(14-18)15-27-12-10-24-11-13-27;5-4(6)3-1-2-3;/h5-7,10-11,16,20H,8-9,12-15,17-18H2,1-4H3;5-9,14,24H,10-13,15-16H2,1-4H3;3H,1-2H2,(H,5,6);1H4
• InChIKey: FIUWSERPVOGBPQ-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 155.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	957.28
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The IUPAC name of 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane (CID 158045118) is 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane.

What is the SMILES notation for 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The canonical SMILES for 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane is C.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCN(C(=O)C5CC5)CC4)c3)nc21.Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cccc(CN4CCNCC4)c3)nc21.O=C(O)C1CC1.

What is the InChIKey of 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

The InChIKey is FIUWSERPVOGBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2.C23H31N5O.C4H6O2.CH4/c1-27(2,3)18-32-23-11-10-22(28-24(23)29(4)26(32)34)21-7-5-6-19(16-21)17-30-12-14-31(15-13-30)25(33)20-8-9-20;1-23(2,3)16-28-20-9-8-19(25-21(20)26(4)22(28)29)18-7-5-6-17(14-18)15-27-12-10-24-11-13-27;5-4(6)3-1-2-3;/h5-7,10-11,16,20H,8-9,12-15,17-18H2,1-4H3;5-9,14,24H,10-13,15-16H2,1-4H3;3H,1-2H2,(H,5,6);1H4.

What are the key properties of 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane?

5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane has a molecular weight of 957.28 g/mol, XLogP of 7.47, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]phenyl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;cyclopropanecarboxylic acid;1-(2,2-dimethylpropyl)-3-methyl-5-[3-(piperazin-1-ylmethyl)phenyl]imidazo[4,5-b]pyridin-2-one;methane is sourced from PubChem (CID 158045118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).