[2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

C19H18N6O — CID 118879473

About [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

[2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 118879473) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
• PubChem CID: 118879473
• Molecular Formula: C19H18N6O
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.15
• IUPAC Name: [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
• SMILES: Cc1[nH]nc2ncc(C(=O)N3CCCC3c3ccc4[nH]ncc4c3)cc12
• InChI: InChI=1S/C19H18N6O/c1-11-15-8-14(9-20-18(15)24-22-11)19(26)25-6-2-3-17(25)12-4-5-16-13(7-12)10-21-23-16/h4-5,7-10,17H,2-3,6H2,1H3,(H,21,23)(H,20,22,24)
• InChIKey: GHVQKBGARCXIOU-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 90.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?

The IUPAC name of [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (CID 118879473) is [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.

What is the SMILES notation for [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?

The canonical SMILES for [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1[nH]nc2ncc(C(=O)N3CCCC3c3ccc4[nH]ncc4c3)cc12.

What is the InChIKey of [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?

The InChIKey is GHVQKBGARCXIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-15-8-14(9-20-18(15)24-22-11)19(26)25-6-2-3-17(25)12-4-5-16-13(7-12)10-21-23-16/h4-5,7-10,17H,2-3,6H2,1H3,(H,21,23)(H,20,22,24).

What are the key properties of [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?

[2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 346.39 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1H-indazol-5-yl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 118879473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).