3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine

C20H25N7 — CID 124974464

About 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine

3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine (PubChem CID 124974464) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
• PubChem CID: 124974464
• Molecular Formula: C20H25N7
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.22
• IUPAC Name: 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine
• SMILES: Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cncn2C)C1
• InChI: InChI=1S/C20H25N7/c1-15-5-3-7-23-19(15)25-20-18(22-8-9-24-20)16-6-4-10-27(12-16)13-17-11-21-14-26(17)2/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
• InChIKey: KQWYNXRWAMYJPF-MRXNPFEDSA-N
• XLogP: 3.04
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine?

The IUPAC name of 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine (CID 124974464) is 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine.

What is the SMILES notation for 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine?

The canonical SMILES for 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine is Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(Cc2cncn2C)C1.

What is the InChIKey of 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine?

The InChIKey is KQWYNXRWAMYJPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N7/c1-15-5-3-7-23-19(15)25-20-18(22-8-9-24-20)16-6-4-10-27(12-16)13-17-11-21-14-26(17)2/h3,5,7-9,11,14,16H,4,6,10,12-13H2,1-2H3,(H,23,24,25)/t16-/m1/s1.

What are the key properties of 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine?

3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyrazin-2-amine is sourced from PubChem (CID 124974464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).