2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile

C26H29N7O2 — CID 146460896

About 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile

2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile (PubChem CID 146460896) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile.

Molecular Properties

• Compound Name: 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile
• PubChem CID: 146460896
• Molecular Formula: C26H29N7O2
• Molecular Weight: 471.57 g/mol
• Exact Mass: 471.24
• IUPAC Name: 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile
• SMILES: CC(=O)N1CCc2c(c(N3c4ccc(-c5cnn(C)c5)cc4C[C@H]3CC#N)nn2[C@H]2CCOC2)C1
• InChI: InChI=1S/C26H29N7O2/c1-17(34)31-9-6-25-23(15-31)26(29-33(25)22-7-10-35-16-22)32-21(5-8-27)12-19-11-18(3-4-24(19)32)20-13-28-30(2)14-20/h3-4,11,13-14,21-22H,5-7,9-10,12,15-16H2,1-2H3/t21-,22+/m1/s1
• InChIKey: NPSUPXCMFPEOFH-YADHBBJMSA-N
• XLogP: 3.13
• TPSA: 92.21 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.57
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile?

The IUPAC name of 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile (CID 146460896) is 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile.

What is the SMILES notation for 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile?

The canonical SMILES for 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile is CC(=O)N1CCc2c(c(N3c4ccc(-c5cnn(C)c5)cc4C[C@H]3CC#N)nn2[C@H]2CCOC2)C1.

What is the InChIKey of 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile?

The InChIKey is NPSUPXCMFPEOFH-YADHBBJMSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-17(34)31-9-6-25-23(15-31)26(29-33(25)22-7-10-35-16-22)32-21(5-8-27)12-19-11-18(3-4-24(19)32)20-13-28-30(2)14-20/h3-4,11,13-14,21-22H,5-7,9-10,12,15-16H2,1-2H3/t21-,22+/m1/s1.

What are the key properties of 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile?

2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile has a molecular weight of 471.57 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-2-yl]acetonitrile is sourced from PubChem (CID 146460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).