(6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine

C21H23ClN8S — CID 142433940

About (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine

(6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine (PubChem CID 142433940) has the molecular formula C21H23ClN8S and a molecular weight of 454.99 g/mol. Its IUPAC name is (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine.

Molecular Properties

• Compound Name: (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine
• PubChem CID: 142433940
• Molecular Formula: C21H23ClN8S
• Molecular Weight: 454.99 g/mol
• Exact Mass: 454.15
• IUPAC Name: (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine
• SMILES: Nc1nc(N2CCC3(CC2)c2ncccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C21H23ClN8S/c22-16-13(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)14(23)10-12-2-1-6-26-17(12)21/h1-3,6-7,11,14H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t14-/m1/s1
• InChIKey: GZEICNCXFFBIFK-CQSZACIVSA-N
• XLogP: 2.66
• TPSA: 132.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.99
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine?

The IUPAC name of (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine (CID 142433940) is (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine.

What is the SMILES notation for (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine?

The canonical SMILES for (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine is Nc1nc(N2CCC3(CC2)c2ncccc2C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.

What is the InChIKey of (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine?

The InChIKey is GZEICNCXFFBIFK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23ClN8S/c22-16-13(3-7-27-18(16)24)31-20-19(25)29-15(11-28-20)30-8-4-21(5-9-30)14(23)10-12-2-1-6-26-17(12)21/h1-3,6-7,11,14H,4-5,8-10,23H2,(H2,24,27)(H2,25,29)/t14-/m1/s1.

What are the key properties of (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine?

(6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine has a molecular weight of 454.99 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine is sourced from PubChem (CID 142433940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).