[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

C28H30N6O2 — CID 26140975

About [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 26140975) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
• PubChem CID: 26140975
• Molecular Formula: C28H30N6O2
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.24
• IUPAC Name: [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
• SMILES: Cc1nc2ccccc2nc1CN1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1
• InChI: InChI=1S/C28H30N6O2/c1-20-25(30-24-10-6-5-9-23(24)29-20)19-32-12-11-26-22(18-32)27(28(35)33-13-15-36-16-14-33)31-34(26)17-21-7-3-2-4-8-21/h2-10H,11-19H2,1H3
• InChIKey: AAZWYWAPTUWKFK-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 76.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?

The IUPAC name of [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (CID 26140975) is [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is Cc1nc2ccccc2nc1CN1CCc2c(c(C(=O)N3CCOCC3)nn2Cc2ccccc2)C1.

What is the InChIKey of [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?

The InChIKey is AAZWYWAPTUWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-20-25(30-24-10-6-5-9-23(24)29-20)19-32-12-11-26-22(18-32)27(28(35)33-13-15-36-16-14-33)31-34(26)17-21-7-3-2-4-8-21/h2-10H,11-19H2,1H3.

What are the key properties of [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?

[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 482.59 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26140975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).