[(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone

C22H25N7O — CID 167672453

About [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone

[(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone (PubChem CID 167672453) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone.

Molecular Properties

• Compound Name: [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone
• PubChem CID: 167672453
• Molecular Formula: C22H25N7O
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.21
• IUPAC Name: [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone
• SMILES: Cc1c(-c2c3c(nn2C)[C@H](C)N(C(=O)c2ccnc4c2ccn4C)CC3)cnn1C
• InChI: InChI=1S/C22H25N7O/c1-13-18(12-24-27(13)4)20-17-8-11-29(14(2)19(17)25-28(20)5)22(30)16-6-9-23-21-15(16)7-10-26(21)3/h6-7,9-10,12,14H,8,11H2,1-5H3/t14-/m0/s1
• InChIKey: UHZREOJFYKHOJK-AWEZNQCLSA-N
• XLogP: 2.78
• TPSA: 73.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone?

The IUPAC name of [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone (CID 167672453) is [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone.

What is the SMILES notation for [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone?

The canonical SMILES for [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone is Cc1c(-c2c3c(nn2C)[C@H](C)N(C(=O)c2ccnc4c2ccn4C)CC3)cnn1C.

What is the InChIKey of [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone?

The InChIKey is UHZREOJFYKHOJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H25N7O/c1-13-18(12-24-27(13)4)20-17-8-11-29(14(2)19(17)25-28(20)5)22(30)16-6-9-23-21-15(16)7-10-26(21)3/h6-7,9-10,12,14H,8,11H2,1-5H3/t14-/m0/s1.

What are the key properties of [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone?

[(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone has a molecular weight of 403.49 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(7S)-3-(1,5-dimethylpyrazol-4-yl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-(1-methylpyrrolo[2,3-b]pyridin-4-yl)methanone is sourced from PubChem (CID 167672453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).