6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide

C25H28ClN7O3S — CID 155035659

About 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide (PubChem CID 155035659) has the molecular formula C25H28ClN7O3S and a molecular weight of 542.07 g/mol. Its IUPAC name is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide
• PubChem CID: 155035659
• Molecular Formula: C25H28ClN7O3S
• Molecular Weight: 542.07 g/mol
• Exact Mass: 541.17
• IUPAC Name: 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide
• SMILES: COc1cc2c(cc1OC)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)nc3C(N)=O)CC1)C2
• InChI: InChI=1S/C25H28ClN7O3S/c1-35-15-9-13-11-25(21(27)14(13)10-16(15)36-2)4-7-33(8-5-25)24-20(23(29)34)32-18(12-31-24)37-17-3-6-30-22(28)19(17)26/h3,6,9-10,12,21H,4-5,7-8,11,27H2,1-2H3,(H2,28,30)(H2,29,34)/t21-/m1/s1
• InChIKey: WQDZXZZQSCKDDW-OAQYLSRUSA-N
• XLogP: 3.22
• TPSA: 155.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.07
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide?

The IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide (CID 155035659) is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide?

The canonical SMILES for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide is COc1cc2c(cc1OC)[C@@H](N)C1(CCN(c3ncc(Sc4ccnc(N)c4Cl)nc3C(N)=O)CC1)C2.

What is the InChIKey of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide?

The InChIKey is WQDZXZZQSCKDDW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28ClN7O3S/c1-35-15-9-13-11-25(21(27)14(13)10-16(15)36-2)4-7-33(8-5-25)24-20(23(29)34)32-18(12-31-24)37-17-3-6-30-22(28)19(17)26/h3,6,9-10,12,21H,4-5,7-8,11,27H2,1-2H3,(H2,28,30)(H2,29,34)/t21-/m1/s1.

What are the key properties of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide?

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide has a molecular weight of 542.07 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5,6-dimethoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 155035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).