4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide

C25H27N7O — CID 138709774

About 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide

4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide (PubChem CID 138709774) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide
• PubChem CID: 138709774
• Molecular Formula: C25H27N7O
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.23
• IUPAC Name: 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide
• SMILES: Cc1cc(C(=O)Nc2ccccn2)ccc1-c1nc([C@@H]2CCCCN2C)n2ccnc(N)c12
• InChI: InChI=1S/C25H27N7O/c1-16-15-17(25(33)29-20-8-3-5-11-27-20)9-10-18(16)21-22-23(26)28-12-14-32(22)24(30-21)19-7-4-6-13-31(19)2/h3,5,8-12,14-15,19H,4,6-7,13H2,1-2H3,(H2,26,28)(H,27,29,33)/t19-/m0/s1
• InChIKey: CLLVZTOBJAECDJ-IBGZPJMESA-N
• XLogP: 4.09
• TPSA: 101.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide?

The IUPAC name of 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide (CID 138709774) is 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide.

What is the SMILES notation for 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide?

The canonical SMILES for 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide is Cc1cc(C(=O)Nc2ccccn2)ccc1-c1nc([C@@H]2CCCCN2C)n2ccnc(N)c12.

What is the InChIKey of 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide?

The InChIKey is CLLVZTOBJAECDJ-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N7O/c1-16-15-17(25(33)29-20-8-3-5-11-27-20)9-10-18(16)21-22-23(26)28-12-14-32(22)24(30-21)19-7-4-6-13-31(19)2/h3,5,8-12,14-15,19H,4,6-7,13H2,1-2H3,(H2,26,28)(H,27,29,33)/t19-/m0/s1.

What are the key properties of 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide?

4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide has a molecular weight of 441.54 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(2S)-1-methylpiperidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-methyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 138709774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).