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

C23H23ClN8S — CID 142433799

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

(2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile (PubChem CID 142433799) has the molecular formula C23H23ClN8S and a molecular weight of 479.01 g/mol. Its IUPAC name is (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile.

Molecular Properties

• Compound Name: (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile
• PubChem CID: 142433799
• Molecular Formula: C23H23ClN8S
• Molecular Weight: 479.01 g/mol
• Exact Mass: 478.15
• IUPAC Name: (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile
• SMILES: N#Cc1cccc2c1C[C@@H](N)C21CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
• InChI: InChI=1S/C23H23ClN8S/c24-19-16(4-7-29-20(19)27)33-22-21(28)31-18(12-30-22)32-8-5-23(6-9-32)15-3-1-2-13(11-25)14(15)10-17(23)26/h1-4,7,12,17H,5-6,8-10,26H2,(H2,27,29)(H2,28,31)/t17-/m1/s1
• InChIKey: OKKAWMHGTRLWDA-QGZVFWFLSA-N
• XLogP: 3.13
• TPSA: 143.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.01
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile (CID 142433799) is (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile.

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

The canonical SMILES for (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile is N#Cc1cccc2c1C[C@@H](N)C21CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.

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

The InChIKey is OKKAWMHGTRLWDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23ClN8S/c24-19-16(4-7-29-20(19)27)33-22-21(28)31-18(12-30-22)32-8-5-23(6-9-32)15-3-1-2-13(11-25)14(15)10-17(23)26/h1-4,7,12,17H,5-6,8-10,26H2,(H2,27,29)(H2,28,31)/t17-/m1/s1.

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

(2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile has a molecular weight of 479.01 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile is sourced from PubChem (CID 142433799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).