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

C23H23ClF3N7S — CID 142433838

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 142433838) has the molecular formula C23H23ClF3N7S and a molecular weight of 522.00 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 142433838
• Molecular Formula: C23H23ClF3N7S
• Molecular Weight: 522.00 g/mol
• Exact Mass: 521.14
• IUPAC Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Nc1nc(N2CCC3(CC2)Cc2ccc(C(F)(F)F)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C23H23ClF3N7S/c24-17-15(3-6-31-19(17)29)35-21-20(30)33-16(11-32-21)34-7-4-22(5-8-34)10-12-1-2-13(23(25,26)27)9-14(12)18(22)28/h1-3,6,9,11,18H,4-5,7-8,10,28H2,(H2,29,31)(H2,30,33)/t18-/m1/s1
• InChIKey: GJJQUHQSJVEHNN-GOSISDBHSA-N
• XLogP: 4.70
• TPSA: 119.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.00
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 142433838) is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

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

The canonical SMILES for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CC2)Cc2ccc(C(F)(F)F)cc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl.

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

The InChIKey is GJJQUHQSJVEHNN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23ClF3N7S/c24-17-15(3-6-31-19(17)29)35-21-20(30)33-16(11-32-21)34-7-4-22(5-8-34)10-12-1-2-13(23(25,26)27)9-14(12)18(22)28/h1-3,6,9,11,18H,4-5,7-8,10,28H2,(H2,29,31)(H2,30,33)/t18-/m1/s1.

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 522.00 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-(trifluoromethyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 142433838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).