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

C23H26ClN7S — CID 142433861

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

(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine (PubChem CID 142433861) has the molecular formula C23H26ClN7S and a molecular weight of 468.03 g/mol. Its IUPAC name is (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine.

Molecular Properties

• Compound Name: (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
• PubChem CID: 142433861
• Molecular Formula: C23H26ClN7S
• Molecular Weight: 468.03 g/mol
• Exact Mass: 467.17
• IUPAC Name: (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
• SMILES: Nc1nc(N2CCC3(CC2)c2ccccc2CC[C@H]3N)cnc1Sc1ccnc(N)c1Cl
• InChI: InChI=1S/C23H26ClN7S/c24-19-16(7-10-28-20(19)26)32-22-21(27)30-18(13-29-22)31-11-8-23(9-12-31)15-4-2-1-3-14(15)5-6-17(23)25/h1-4,7,10,13,17H,5-6,8-9,11-12,25H2,(H2,26,28)(H2,27,30)/t17-/m1/s1
• InChIKey: LMHITKMDUAQSCH-QGZVFWFLSA-N
• XLogP: 3.65
• 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	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine (CID 142433861) is (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine.

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

The canonical SMILES for (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine is Nc1nc(N2CCC3(CC2)c2ccccc2CC[C@H]3N)cnc1Sc1ccnc(N)c1Cl.

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

The InChIKey is LMHITKMDUAQSCH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26ClN7S/c24-19-16(7-10-28-20(19)26)32-22-21(27)30-18(13-29-22)31-11-8-23(9-12-31)15-4-2-1-3-14(15)5-6-17(23)25/h1-4,7,10,13,17H,5-6,8-9,11-12,25H2,(H2,26,28)(H2,27,30)/t17-/m1/s1.

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

(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine has a molecular weight of 468.03 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine is sourced from PubChem (CID 142433861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).