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

C22H24Cl2FN7S — CID 162352729

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 162352729) has the molecular formula C22H24Cl2FN7S and a molecular weight of 508.45 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• PubChem CID: 162352729
• Molecular Formula: C22H24Cl2FN7S
• Molecular Weight: 508.45 g/mol
• Exact Mass: 507.12
• IUPAC Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• SMILES: Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(F)nc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C22H23ClFN7S.ClH/c23-15-14(5-8-28-18(15)26)32-21-19(27)30-20(17(24)29-21)31-9-6-22(7-10-31)11-12-3-1-2-4-13(12)16(22)25;/h1-5,8,16H,6-7,9-11,25H2,(H2,26,28)(H2,27,30);1H/t16-;/m1./s1
• InChIKey: UQLNCTBCLNHDAV-PKLMIRHRSA-N
• XLogP: 4.24
• TPSA: 119.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.45
LogP ≤ 5	4.24
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]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 162352729) is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

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

The canonical SMILES for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is Cl.Nc1nc(N2CCC3(CC2)Cc2ccccc2[C@H]3N)c(F)nc1Sc1ccnc(N)c1Cl.

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

The InChIKey is UQLNCTBCLNHDAV-PKLMIRHRSA-N. The full InChI is InChI=1S/C22H23ClFN7S.ClH/c23-15-14(5-8-28-18(15)26)32-21-19(27)30-20(17(24)29-21)31-9-6-22(7-10-31)11-12-3-1-2-4-13(12)16(22)25;/h1-5,8,16H,6-7,9-11,25H2,(H2,26,28)(H2,27,30);1H/t16-;/m1./s1.

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 508.45 g/mol, XLogP of 4.24, 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]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 162352729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).