1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone

C113H116N18O12 — CID 161125535

About 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone

1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone (PubChem CID 161125535) has the molecular formula C113H116N18O12 and a molecular weight of 1918.28 g/mol. Its IUPAC name is 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone.

Molecular Properties

• Compound Name: 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone
• PubChem CID: 161125535
• Molecular Formula: C113H116N18O12
• Molecular Weight: 1918.28 g/mol
• Exact Mass: 1916.90
• IUPAC Name: 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4ccnc(C)c4)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4cnc5ccccc5c4)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4nc5ccccc5n4C)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4ncc(-c5ccccc5)n4C)c3)nn2C2CCOC2)C1
• InChI: InChI=1S/C30H31N5O3.C29H28N4O3.C28H29N5O3.C26H28N4O3/c1-20(36)34-13-11-26-25(18-34)30(32-35(26)24-12-14-38-19-24)23-10-6-9-22(15-23)28(37)16-29-31-17-27(33(29)2)21-7-4-3-5-8-21;1-19(34)32-11-9-27-25(17-32)29(31-33(27)24-10-12-36-18-24)23-7-4-6-22(15-23)28(35)14-20-13-21-5-2-3-8-26(21)30-16-20;1-18(34)32-12-10-24-22(16-32)28(30-33(24)21-11-13-36-17-21)20-7-5-6-19(14-20)26(35)15-27-29-23-8-3-4-9-25(23)31(27)2;1-17-12-19(6-9-27-17)13-25(32)20-4-3-5-21(14-20)26-23-15-29(18(2)31)10-7-24(23)30(28-26)22-8-11-33-16-22/h3-10,15,17,24H,11-14,16,18-19H2,1-2H3;2-8,13,15-16,24H,9-12,14,17-18H2,1H3;3-9,14,21H,10-13,15-17H2,1-2H3;3-6,9,12,14,22H,7-8,10-11,13,15-16H2,1-2H3
• InChIKey: ULMXCPVCQUYLSJ-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 319.14 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.28
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone?

The IUPAC name of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone (CID 161125535) is 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone.

What is the SMILES notation for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone?

The canonical SMILES for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone is CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4ccnc(C)c4)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4cnc5ccccc5c4)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4nc5ccccc5n4C)c3)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc(C(=O)Cc4ncc(-c5ccccc5)n4C)c3)nn2C2CCOC2)C1.

What is the InChIKey of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone?

The InChIKey is ULMXCPVCQUYLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3.C29H28N4O3.C28H29N5O3.C26H28N4O3/c1-20(36)34-13-11-26-25(18-34)30(32-35(26)24-12-14-38-19-24)23-10-6-9-22(15-23)28(37)16-29-31-17-27(33(29)2)21-7-4-3-5-8-21;1-19(34)32-11-9-27-25(17-32)29(31-33(27)24-10-12-36-18-24)23-7-4-6-22(15-23)28(35)14-20-13-21-5-2-3-8-26(21)30-16-20;1-18(34)32-12-10-24-22(16-32)28(30-33(24)21-11-13-36-17-21)20-7-5-6-19(14-20)26(35)15-27-29-23-8-3-4-9-25(23)31(27)2;1-17-12-19(6-9-27-17)13-25(32)20-4-3-5-21(14-20)26-23-15-29(18(2)31)10-7-24(23)30(28-26)22-8-11-33-16-22/h3-10,15,17,24H,11-14,16,18-19H2,1-2H3;2-8,13,15-16,24H,9-12,14,17-18H2,1H3;3-9,14,21H,10-13,15-17H2,1-2H3;3-6,9,12,14,22H,7-8,10-11,13,15-16H2,1-2H3.

What are the key properties of 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone?

1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone has a molecular weight of 1918.28 g/mol, XLogP of 15.90, 21 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methylbenzimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(1-methyl-5-phenylimidazol-2-yl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-(2-methyl-4-pyridinyl)ethanone;1-[3-[5-acetyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]-2-quinolin-3-ylethanone is sourced from PubChem (CID 161125535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).