(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C25H23ClFN7S — CID 146485793

About (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146485793) has the molecular formula C25H23ClFN7S and a molecular weight of 508.03 g/mol. Its IUPAC name is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 146485793
• Molecular Formula: C25H23ClFN7S
• Molecular Weight: 508.03 g/mol
• Exact Mass: 507.14
• IUPAC Name: (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(F)ccc4[C@H]5N)cnc3n2)c1Cl
• InChI: InChI=1S/C25H23ClFN7S/c26-21-18(5-8-30-23(21)29)35-20-4-3-17-24(33-20)31-13-19(32-17)34-9-6-25(7-10-34)12-14-11-15(27)1-2-16(14)22(25)28/h1-5,8,11,13,22H,6-7,9-10,12,28H2,(H2,29,30)/t22-/m1/s1
• InChIKey: LCDKHVMBHOTRTK-JOCHJYFZSA-N
• XLogP: 4.79
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.03
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146485793) is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cc(F)ccc4[C@H]5N)cnc3n2)c1Cl.

What is the InChIKey of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is LCDKHVMBHOTRTK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23ClFN7S/c26-21-18(5-8-30-23(21)29)35-20-4-3-17-24(33-20)31-13-19(32-17)34-9-6-25(7-10-34)12-14-11-15(27)1-2-16(14)22(25)28/h1-5,8,11,13,22H,6-7,9-10,12,28H2,(H2,29,30)/t22-/m1/s1.

What are the key properties of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 508.03 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146485793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).