3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

C20H26ClN5OS — CID 134401654

About 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (PubChem CID 134401654) has the molecular formula C20H26ClN5OS and a molecular weight of 419.98 g/mol. Its IUPAC name is 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
• PubChem CID: 134401654
• Molecular Formula: C20H26ClN5OS
• Molecular Weight: 419.98 g/mol
• Exact Mass: 419.15
• IUPAC Name: 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
• SMILES: COc1nccc(Sc2ncc(N3CCC4(CCC[C@H]4C)CC3)nc2N)c1Cl
• InChI: InChI=1S/C20H26ClN5OS/c1-13-4-3-6-20(13)7-10-26(11-8-20)15-12-24-19(17(22)25-15)28-14-5-9-23-18(27-2)16(14)21/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,22,25)/t13-/m1/s1
• InChIKey: PUMPXDVXOWBBOR-CYBMUJFWSA-N
• XLogP: 4.67
• TPSA: 77.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.98
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (CID 134401654) is 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.

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

The canonical SMILES for 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is COc1nccc(Sc2ncc(N3CCC4(CCC[C@H]4C)CC3)nc2N)c1Cl.

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

The InChIKey is PUMPXDVXOWBBOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H26ClN5OS/c1-13-4-3-6-20(13)7-10-26(11-8-20)15-12-24-19(17(22)25-15)28-14-5-9-23-18(27-2)16(14)21/h5,9,12-13H,3-4,6-8,10-11H2,1-2H3,(H2,22,25)/t13-/m1/s1.

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

3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine has a molecular weight of 419.98 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is sourced from PubChem (CID 134401654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).