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

C23H26ClN7S — CID 155385292

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine (PubChem CID 155385292) has the molecular formula C23H26ClN7S and a molecular weight of 468.03 g/mol. Its IUPAC name is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine
• PubChem CID: 155385292
• Molecular Formula: C23H26ClN7S
• Molecular Weight: 468.03 g/mol
• Exact Mass: 467.17
• IUPAC Name: (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine
• SMILES: Nc1nc(N2CCC3(CCc4ccccc4[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C23H26ClN7S/c24-18-16(6-10-28-20(18)26)32-22-21(27)30-17(13-29-22)31-11-8-23(9-12-31)7-5-14-3-1-2-4-15(14)19(23)25/h1-4,6,10,13,19H,5,7-9,11-12,25H2,(H2,26,28)(H2,27,30)/t19-/m1/s1
• InChIKey: DHPXXNIPZLEBEO-LJQANCHMSA-N
• XLogP: 4.07
• TPSA: 119.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.03
LogP ≤ 5	4.07
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]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine (CID 155385292) is (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-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]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine is Nc1nc(N2CCC3(CCc4ccccc4[C@H]3N)CC2)cnc1Sc1ccnc(N)c1Cl.

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

The InChIKey is DHPXXNIPZLEBEO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26ClN7S/c24-18-16(6-10-28-20(18)26)32-22-21(27)30-17(13-29-22)31-11-8-23(9-12-31)7-5-14-3-1-2-4-15(14)19(23)25/h1-4,6,10,13,19H,5,7-9,11-12,25H2,(H2,26,28)(H2,27,30)/t19-/m1/s1.

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

(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine has a molecular weight of 468.03 g/mol, XLogP of 4.07, 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]spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155385292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).