3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide

C23H30N10O2 — CID 122419900

About 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide

3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide (PubChem CID 122419900) has the molecular formula C23H30N10O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide
• PubChem CID: 122419900
• Molecular Formula: C23H30N10O2
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.26
• IUPAC Name: 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide
• SMILES: CNC(=O)c1c(NC)ncn1[C@@H](C)C(=O)Nc1cncc(-c2cnc(N3CCCC3(C)C)nc2)n1
• InChI: InChI=1S/C23H30N10O2/c1-14(32-13-29-19(24-4)18(32)21(35)25-5)20(34)31-17-12-26-11-16(30-17)15-9-27-22(28-10-15)33-8-6-7-23(33,2)3/h9-14,24H,6-8H2,1-5H3,(H,25,35)(H,30,31,34)/t14-/m0/s1
• InChIKey: WJQUMBOMJIJYRL-AWEZNQCLSA-N
• XLogP: 2.11
• TPSA: 142.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide?

The IUPAC name of 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide (CID 122419900) is 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide.

What is the SMILES notation for 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide?

The canonical SMILES for 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide is CNC(=O)c1c(NC)ncn1[C@@H](C)C(=O)Nc1cncc(-c2cnc(N3CCCC3(C)C)nc2)n1.

What is the InChIKey of 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide?

The InChIKey is WJQUMBOMJIJYRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H30N10O2/c1-14(32-13-29-19(24-4)18(32)21(35)25-5)20(34)31-17-12-26-11-16(30-17)15-9-27-22(28-10-15)33-8-6-7-23(33,2)3/h9-14,24H,6-8H2,1-5H3,(H,25,35)(H,30,31,34)/t14-/m0/s1.

What are the key properties of 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide?

3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S)-1-[[6-[2-(2,2-dimethylpyrrolidin-1-yl)pyrimidin-5-yl]pyrazin-2-yl]amino]-1-oxopropan-2-yl]-N-methyl-5-(methylamino)imidazole-4-carboxamide is sourced from PubChem (CID 122419900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).