N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

C32H34N6O4 — CID 118728348

About N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide

N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide (PubChem CID 118728348) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
• PubChem CID: 118728348
• Molecular Formula: C32H34N6O4
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.26
• IUPAC Name: N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide
• SMILES: Cc1c(NC(=O)c2cc3n(c2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
• InChI: InChI=1S/C32H34N6O4/c1-21-26(7-5-8-27(21)35-30(39)23-18-25-6-3-4-13-38(25)19-23)28-20-36(2)32(41)29(34-28)33-24-11-9-22(10-12-24)31(40)37-14-16-42-17-15-37/h5,7-12,18-20H,3-4,6,13-17H2,1-2H3,(H,33,34)(H,35,39)
• InChIKey: RTPURNSEIFSFAU-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 110.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?

The IUPAC name of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide (CID 118728348) is N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide.

What is the SMILES notation for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?

The canonical SMILES for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide is Cc1c(NC(=O)c2cc3n(c2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.

What is the InChIKey of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?

The InChIKey is RTPURNSEIFSFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-21-26(7-5-8-27(21)35-30(39)23-18-25-6-3-4-13-38(25)19-23)28-20-36(2)32(41)29(34-28)33-24-11-9-22(10-12-24)31(40)37-14-16-42-17-15-37/h5,7-12,18-20H,3-4,6,13-17H2,1-2H3,(H,33,34)(H,35,39).

What are the key properties of N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide?

N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide has a molecular weight of 566.66 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]-5,6,7,8-tetrahydroindolizine-2-carboxamide is sourced from PubChem (CID 118728348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).