1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

C22H23N7O3 — CID 138491057

About 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide

1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 138491057) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 138491057
• Molecular Formula: C22H23N7O3
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.19
• IUPAC Name: 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CCCN1C(=O)CO
• InChI: InChI=1S/C22H23N7O3/c30-13-20(31)28-10-2-4-19(28)22(32)24-8-5-14-11-16-15(6-9-23-21(16)27-14)17-12-26-29-18(17)3-1-7-25-29/h1,3,6-7,9,11-12,19,30H,2,4-5,8,10,13H2,(H,23,27)(H,24,32)
• InChIKey: BCDWZDLKBNFZAG-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 128.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 138491057) is 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CCCN1C(=O)CO.

What is the InChIKey of 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?

The InChIKey is BCDWZDLKBNFZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c30-13-20(31)28-10-2-4-19(28)22(32)24-8-5-14-11-16-15(6-9-23-21(16)27-14)17-12-26-29-18(17)3-1-7-25-29/h1,3,6-7,9,11-12,19,30H,2,4-5,8,10,13H2,(H,23,27)(H,24,32).

What are the key properties of 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide?

1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyacetyl)-N-[2-(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138491057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).