5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

C23H27N7O2 — CID 170056471

About 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide

5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 170056471) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 170056471
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
• SMILES: CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@@H]43)cc2[nH]c1=O
• InChI: InChI=1S/C23H27N7O2/c1-3-16-23(32)28-18-10-14(11-26-21(18)27-16)13-29-8-9-30(20-7-6-19(20)29)15-4-5-17(25-12-15)22(31)24-2/h4-5,10-12,19-20H,3,6-9,13H2,1-2H3,(H,24,31)(H,28,32)/t19-,20-/m0/s1
• InChIKey: KCBVLLQJPRAPJT-PMACEKPBSA-N
• XLogP: 1.49
• TPSA: 107.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide (CID 170056471) is 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is CCc1nc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@H]4CC[C@@H]43)cc2[nH]c1=O.

What is the InChIKey of 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is KCBVLLQJPRAPJT-PMACEKPBSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-3-16-23(32)28-18-10-14(11-26-21(18)27-16)13-29-8-9-30(20-7-6-19(20)29)15-4-5-17(25-12-15)22(31)24-2/h4-5,10-12,19-20H,3,6-9,13H2,1-2H3,(H,24,31)(H,28,32)/t19-,20-/m0/s1.

What are the key properties of 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide?

5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 170056471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).