8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine

C19H26FN7S — CID 167176008

About 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine

8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine (PubChem CID 167176008) has the molecular formula C19H26FN7S and a molecular weight of 403.53 g/mol. Its IUPAC name is 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

• Compound Name: 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
• PubChem CID: 167176008
• Molecular Formula: C19H26FN7S
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.20
• IUPAC Name: 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
• SMILES: CC1CCC2(CCN(c3cnc(Sc4ccnc(N)c4F)c(N)n3)CC2)C1N
• InChI: InChI=1S/C19H26FN7S/c1-11-2-4-19(15(11)21)5-8-27(9-6-19)13-10-25-18(17(23)26-13)28-12-3-7-24-16(22)14(12)20/h3,7,10-11,15H,2,4-6,8-9,21H2,1H3,(H2,22,24)(H2,23,26)
• InChIKey: UGMLTDNGLFWXPB-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 119.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?

The IUPAC name of 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine (CID 167176008) is 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine.

What is the SMILES notation for 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?

The canonical SMILES for 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine is CC1CCC2(CCN(c3cnc(Sc4ccnc(N)c4F)c(N)n3)CC2)C1N.

What is the InChIKey of 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?

The InChIKey is UGMLTDNGLFWXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN7S/c1-11-2-4-19(15(11)21)5-8-27(9-6-19)13-10-25-18(17(23)26-13)28-12-3-7-24-16(22)14(12)20/h3,7,10-11,15H,2,4-6,8-9,21H2,1H3,(H2,22,24)(H2,23,26).

What are the key properties of 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine?

8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine has a molecular weight of 403.53 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167176008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).