[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

C20H21N5O3 — CID 142576967

About [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone

[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (PubChem CID 142576967) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• PubChem CID: 142576967
• Molecular Formula: C20H21N5O3
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.16
• IUPAC Name: [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone
• SMILES: O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CC[C@@H](O)C3)c2C1
• InChI: InChI=1S/C20H21N5O3/c26-13-5-7-24(10-13)20(28)18-14-11-25(8-6-16(14)22-23-18)19(27)17-9-12-3-1-2-4-15(12)21-17/h1-4,9,13,21,26H,5-8,10-11H2,(H,22,23)/t13-/m1/s1
• InChIKey: XQYNIJYTXDOQOU-CYBMUJFWSA-N
• XLogP: 1.30
• TPSA: 105.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The IUPAC name of [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone (CID 142576967) is [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone.

What is the SMILES notation for [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The canonical SMILES for [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCc2[nH]nc(C(=O)N3CC[C@@H](O)C3)c2C1.

What is the InChIKey of [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

The InChIKey is XQYNIJYTXDOQOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-13-5-7-24(10-13)20(28)18-14-11-25(8-6-16(14)22-23-18)19(27)17-9-12-3-1-2-4-15(12)21-17/h1-4,9,13,21,26H,5-8,10-11H2,(H,22,23)/t13-/m1/s1.

What are the key properties of [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone?

[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone has a molecular weight of 379.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 142576967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).