1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C96H108N22O8 — CID 157194427

About 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 157194427) has the molecular formula C96H108N22O8 and a molecular weight of 1698.07 g/mol. Its IUPAC name is 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 157194427
• Molecular Formula: C96H108N22O8
• Molecular Weight: 1698.07 g/mol
• Exact Mass: 1696.87
• IUPAC Name: 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3c(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3c(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(-c3c(C)[nH]c4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1
• InChI: InChI=1S/2C25H28N6O2.C24H26N6O2.C22H26N4O2/c2*1-15-24(20-5-4-17(10-22(20)27-15)18-11-26-29(3)12-18)25-21-13-30(16(2)32)8-6-23(21)31(28-25)19-7-9-33-14-19;1-15(31)29-7-5-23-21(13-29)24(27-30(23)18-6-8-32-14-18)20-11-25-22-9-16(3-4-19(20)22)17-10-26-28(2)12-17;1-14-21(17-5-3-4-6-19(17)23-14)22-18-13-25(15(2)27)10-7-20(18)26(24-22)16-8-11-28-12-9-16/h2*4-5,10-12,19,27H,6-9,13-14H2,1-3H3;3-4,9-12,18,25H,5-8,13-14H2,1-2H3;3-6,16,23H,7-13H2,1-2H3/t19-;;;/m0.../s1
• InChIKey: AQBRKPOEBHEURY-VLEZWVESSA-N
• XLogP: 14.11
• TPSA: 306.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 11
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1698.07
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 157194427) is 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1.CC(=O)N1CCc2c(c(-c3c(C)[nH]c4cc(-c5cnn(C)c5)ccc34)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(-c3c(C)[nH]c4ccccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3c[nH]c4cc(-c5cnn(C)c5)ccc34)nn2C2CCOC2)C1.

What is the InChIKey of 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is AQBRKPOEBHEURY-VLEZWVESSA-N. The full InChI is InChI=1S/2C25H28N6O2.C24H26N6O2.C22H26N4O2/c2*1-15-24(20-5-4-17(10-22(20)27-15)18-11-26-29(3)12-18)25-21-13-30(16(2)32)8-6-23(21)31(28-25)19-7-9-33-14-19;1-15(31)29-7-5-23-21(13-29)24(27-30(23)18-6-8-32-14-18)20-11-25-22-9-16(3-4-19(20)22)17-10-26-28(2)12-17;1-14-21(17-5-3-4-6-19(17)23-14)22-18-13-25(15(2)27)10-7-20(18)26(24-22)16-8-11-28-12-9-16/h2*4-5,10-12,19,27H,6-9,13-14H2,1-3H3;3-4,9-12,18,25H,5-8,13-14H2,1-2H3;3-6,16,23H,7-13H2,1-2H3/t19-;;;/m0.../s1.

What are the key properties of 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1698.07 g/mol, XLogP of 14.11, 11 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(2-methyl-1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2-methyl-6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 157194427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).