(6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine

C20H22ClN7S — CID 146553819

About (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine

(6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 146553819) has the molecular formula C20H22ClN7S and a molecular weight of 427.97 g/mol. Its IUPAC name is (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

• Compound Name: (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine
• PubChem CID: 146553819
• Molecular Formula: C20H22ClN7S
• Molecular Weight: 427.97 g/mol
• Exact Mass: 427.13
• IUPAC Name: (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine
• SMILES: C[C@H]1CC2CC(N)CC1N2c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1
• InChI: InChI=1S/C20H22ClN7S/c1-10-6-12-7-11(22)8-14(10)28(12)16-9-25-20-13(26-16)2-3-17(27-20)29-15-4-5-24-19(23)18(15)21/h2-5,9-12,14H,6-8,22H2,1H3,(H2,23,24)/t10-,11?,12?,14?/m0/s1
• InChIKey: UOZCGTCNDOCMQG-ZZIMEFBRSA-N
• XLogP: 3.51
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.97
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine?

The IUPAC name of (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 146553819) is (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine.

What is the SMILES notation for (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine?

The canonical SMILES for (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine is C[C@H]1CC2CC(N)CC1N2c1cnc2nc(Sc3ccnc(N)c3Cl)ccc2n1.

What is the InChIKey of (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine?

The InChIKey is UOZCGTCNDOCMQG-ZZIMEFBRSA-N. The full InChI is InChI=1S/C20H22ClN7S/c1-10-6-12-7-11(22)8-14(10)28(12)16-9-25-20-13(26-16)2-3-17(27-20)29-15-4-5-24-19(23)18(15)21/h2-5,9-12,14H,6-8,22H2,1H3,(H2,23,24)/t10-,11?,12?,14?/m0/s1.

What are the key properties of (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine?

(6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 427.97 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 146553819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).