1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine

C24H22ClFN8S — CID 156901246

About 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine

1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine (PubChem CID 156901246) has the molecular formula C24H22ClFN8S and a molecular weight of 509.01 g/mol. Its IUPAC name is 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine
• PubChem CID: 156901246
• Molecular Formula: C24H22ClFN8S
• Molecular Weight: 509.01 g/mol
• Exact Mass: 508.14
• IUPAC Name: 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine
• SMILES: Nc1nccc(Sc2ccc3nc(N4CCC5(CC=C6C=C(F)C=C6N5N)CC4)cnc3n2)c1Cl
• InChI: InChI=1S/C24H22ClFN8S/c25-21-18(4-8-29-22(21)27)35-20-2-1-16-23(32-20)30-13-19(31-16)33-9-6-24(7-10-33)5-3-14-11-15(26)12-17(14)34(24)28/h1-4,8,11-13H,5-7,9-10,28H2,(H2,27,29)
• InChIKey: NRNXHGBHOUZOHD-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 110.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.01
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine?

The IUPAC name of 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine (CID 156901246) is 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine.

What is the SMILES notation for 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine?

The canonical SMILES for 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC=C6C=C(F)C=C6N5N)CC4)cnc3n2)c1Cl.

What is the InChIKey of 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine?

The InChIKey is NRNXHGBHOUZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN8S/c25-21-18(4-8-29-22(21)27)35-20-2-1-16-23(32-20)30-13-19(31-16)33-9-6-24(7-10-33)5-3-14-11-15(26)12-17(14)34(24)28/h1-4,8,11-13H,5-7,9-10,28H2,(H2,27,29).

What are the key properties of 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine?

1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine has a molecular weight of 509.01 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine is sourced from PubChem (CID 156901246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).