6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile

C23H22ClN7S — CID 154662889

About 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile (PubChem CID 154662889) has the molecular formula C23H22ClN7S and a molecular weight of 464.00 g/mol. Its IUPAC name is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
• PubChem CID: 154662889
• Molecular Formula: C23H22ClN7S
• Molecular Weight: 464.00 g/mol
• Exact Mass: 463.13
• IUPAC Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
• SMILES: N#Cc1nc(Sc2ccnc(N)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N
• InChI: InChI=1S/C23H22ClN7S/c24-19-17(5-8-28-21(19)27)32-18-13-29-22(16(12-25)30-18)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)20(23)26/h1-5,8,13,20H,6-7,9-11,26H2,(H2,27,28)/t20-/m1/s1
• InChIKey: LWVFZQYBHAHENS-HXUWFJFHSA-N
• XLogP: 3.97
• TPSA: 117.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.00
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile?

The IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile (CID 154662889) is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile.

What is the SMILES notation for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile?

The canonical SMILES for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile is N#Cc1nc(Sc2ccnc(N)c2Cl)cnc1N1CCC2(CC1)Cc1ccccc1[C@H]2N.

What is the InChIKey of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile?

The InChIKey is LWVFZQYBHAHENS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22ClN7S/c24-19-17(5-8-28-21(19)27)32-18-13-29-22(16(12-25)30-18)31-9-6-23(7-10-31)11-14-3-1-2-4-15(14)20(23)26/h1-5,8,13,20H,6-7,9-11,26H2,(H2,27,28)/t20-/m1/s1.

What are the key properties of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile?

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile has a molecular weight of 464.00 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 154662889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).