8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C101H115N23O10 — CID 157257467

About 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 157257467) has the molecular formula C101H115N23O10 and a molecular weight of 1811.18 g/mol. Its IUPAC name is 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 157257467
• Molecular Formula: C101H115N23O10
• Molecular Weight: 1811.18 g/mol
• Exact Mass: 1809.92
• IUPAC Name: 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4[nH]c(-c5cccnc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(C(=O)O)nc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c3CCCN(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C28H36N6O2.C27H30N6O2.C25H26N6O2.C21H23N5O4/c1-3-27(35)33-13-9-26-25(19-33)28(30-34(26)21-10-14-36-15-11-21)24-7-4-6-20-17-32(12-5-8-23(20)24)22-16-29-31(2)18-22;1-3-26(34)32-10-7-25-23(17-32)27(30-33(25)20-8-11-35-12-9-20)21-6-4-5-18-13-24(28-15-22(18)21)19-14-29-31(2)16-19;1-16(32)30-11-7-22-20(15-30)23(29-31(22)18-8-12-33-13-9-18)19-5-2-6-21-24(19)28-25(27-21)17-4-3-10-26-14-17;1-13(27)24-8-4-18-16(11-24)19(23-26(18)14-5-9-30-10-6-14)15-3-2-7-25-12-17(21(28)29)22-20(15)25/h4,6-7,16,18,21H,3,5,8-15,17,19H2,1-2H3;4-6,13-16,20H,3,7-12,17H2,1-2H3;2-6,10,14,18H,7-9,11-13,15H2,1H3,(H,27,28);2-3,7,12,14H,4-6,8-11H2,1H3,(H,28,29)
• InChIKey: AXBDENSRHHZOFE-UHFFFAOYSA-N
• XLogP: 13.92
• TPSA: 337.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.18
LogP ≤ 5	13.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 157257467) is 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4[nH]c(-c5cccnc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(C(=O)O)nc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c3CCCN(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is AXBDENSRHHZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2.C27H30N6O2.C25H26N6O2.C21H23N5O4/c1-3-27(35)33-13-9-26-25(19-33)28(30-34(26)21-10-14-36-15-11-21)24-7-4-6-20-17-32(12-5-8-23(20)24)22-16-29-31(2)18-22;1-3-26(34)32-10-7-25-23(17-32)27(30-33(25)20-8-11-35-12-9-20)21-6-4-5-18-13-24(28-15-22(18)21)19-14-29-31(2)16-19;1-16(32)30-11-7-22-20(15-30)23(29-31(22)18-8-12-33-13-9-18)19-5-2-6-21-24(19)28-25(27-21)17-4-3-10-26-14-17;1-13(27)24-8-4-18-16(11-24)19(23-26(18)14-5-9-30-10-6-14)15-3-2-7-25-12-17(21(28)29)22-20(15)25/h4,6-7,16,18,21H,3,5,8-15,17,19H2,1-2H3;4-6,13-16,20H,3,7-12,17H2,1-2H3;2-6,10,14,18H,7-9,11-13,15H2,1H3,(H,27,28);2-3,7,12,14H,4-6,8-11H2,1H3,(H,28,29).

What are the key properties of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1811.18 g/mol, XLogP of 13.92, 14 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(2-pyridin-3-yl-1H-benzimidazol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 157257467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).