1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C126H140F2N30O10 — CID 165024323

About 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 165024323) has the molecular formula C126H140F2N30O10 and a molecular weight of 2272.70 g/mol. Its IUPAC name is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 165024323
• Molecular Formula: C126H140F2N30O10
• Molecular Weight: 2272.70 g/mol
• Exact Mass: 2271.13
• IUPAC Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C(=O)c3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(C3=CCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C27H30F2N6O2.C27H29N7O2.C26H31N7O2.C26H29N5O2.C20H21N5O2/c1-16-10-18-11-21(19-13-30-32(3)14-19)22(26(28)29)12-25(18)34(16)27-23-15-33(17(2)36)7-4-24(23)35(31-27)20-5-8-37-9-6-20;1-17-10-19-11-23(21-14-29-31(3)15-21)20(13-28)12-26(19)33(17)27-24-16-32(18(2)35)7-4-25(24)34(30-27)22-5-8-36-9-6-22;1-4-25(34)31-8-5-23-21(16-31)26(29-33(23)20-6-9-35-10-7-20)32-17(2)11-18-12-22(27-14-24(18)32)19-13-28-30(3)15-19;1-17(32)30-10-8-25-24(15-30)26(28-31(25)21-9-11-33-16-21)23-5-3-4-19-12-18(6-7-22(19)23)20-13-27-29(2)14-20;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)20(27)15-6-4-14(5-7-15)16-10-21-23(2)11-16/h10-14,20,26H,4-9,15H2,1-3H3;10-12,14-15,22H,4-9,16H2,1-3H3;11-15,20H,4-10,16H2,1-3H3;5-7,12-14,21H,3-4,8-11,15-16H2,1-2H3;4-7,10-11H,8-9,12H2,1-3H3/t;;;21-;/m...0./s1
• InChIKey: LQIGDYZXYFHGOB-LOCNPRDZSA-N
• XLogP: 17.45
• TPSA: 385.21 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.70
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 165024323) is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(C(=O)c3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(C3=CCCc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(c(-n3c(C)cc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is LQIGDYZXYFHGOB-LOCNPRDZSA-N. The full InChI is InChI=1S/C27H30F2N6O2.C27H29N7O2.C26H31N7O2.C26H29N5O2.C20H21N5O2/c1-16-10-18-11-21(19-13-30-32(3)14-19)22(26(28)29)12-25(18)34(16)27-23-15-33(17(2)36)7-4-24(23)35(31-27)20-5-8-37-9-6-20;1-17-10-19-11-23(21-14-29-31(3)15-21)20(13-28)12-26(19)33(17)27-24-16-32(18(2)35)7-4-25(24)34(30-27)22-5-8-36-9-6-22;1-4-25(34)31-8-5-23-21(16-31)26(29-33(23)20-6-9-35-10-7-20)32-17(2)11-18-12-22(27-14-24(18)32)19-13-28-30(3)15-19;1-17(32)30-10-8-25-24(15-30)26(28-31(25)21-9-11-33-16-21)23-5-3-4-19-12-18(6-7-22(19)23)20-13-27-29(2)14-20;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)20(27)15-6-4-14(5-7-15)16-10-21-23(2)11-16/h10-14,20,26H,4-9,15H2,1-3H3;10-12,14-15,22H,4-9,16H2,1-3H3;11-15,20H,4-10,16H2,1-3H3;5-7,12-14,21H,3-4,8-11,15-16H2,1-2H3;4-7,10-11H,8-9,12H2,1-3H3/t;;;21-;/m...0./s1.

What are the key properties of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2272.70 g/mol, XLogP of 17.45, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-methyl-5-(1-methylpyrazol-4-yl)indole-6-carbonitrile;1-[3-[6-(difluoromethyl)-2-methyl-5-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)benzoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-c]pyridin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydronaphthalen-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 165024323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).