N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C20H20N6O3 — CID 56873233

About N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 56873233) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 56873233
• Molecular Formula: C20H20N6O3
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.16
• IUPAC Name: N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide
• SMILES: COc1nc2c(cc1CNC(=O)c1ccn[nH]1)C(=O)N(CCc1ccccn1)C2
• InChI: InChI=1S/C20H20N6O3/c1-29-19-13(11-22-18(27)16-5-8-23-25-16)10-15-17(24-19)12-26(20(15)28)9-6-14-4-2-3-7-21-14/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,22,27)(H,23,25)
• InChIKey: MYDDFFGFQQOGDK-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 56873233) is N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide is COc1nc2c(cc1CNC(=O)c1ccn[nH]1)C(=O)N(CCc1ccccn1)C2.

What is the InChIKey of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide?

The InChIKey is MYDDFFGFQQOGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-29-19-13(11-22-18(27)16-5-8-23-25-16)10-15-17(24-19)12-26(20(15)28)9-6-14-4-2-3-7-21-14/h2-5,7-8,10H,6,9,11-12H2,1H3,(H,22,27)(H,23,25).

What are the key properties of N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide?

N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56873233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).