(1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C27H27ClN6OS — CID 146485633

About (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146485633) has the molecular formula C27H27ClN6OS and a molecular weight of 519.07 g/mol. Its IUPAC name is (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 146485633
• Molecular Formula: C27H27ClN6OS
• Molecular Weight: 519.07 g/mol
• Exact Mass: 518.17
• IUPAC Name: (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: COc1ccc2c(c1)CC1(CCN(c3cnc4nc(Sc5ccnc(C)c5Cl)ccc4n3)CC1)[C@@H]2N
• InChI: InChI=1S/C27H27ClN6OS/c1-16-24(28)21(7-10-30-16)36-23-6-5-20-26(33-23)31-15-22(32-20)34-11-8-27(9-12-34)14-17-13-18(35-2)3-4-19(17)25(27)29/h3-7,10,13,15,25H,8-9,11-12,14,29H2,1-2H3/t25-/m1/s1
• InChIKey: GFMIJSDHRKHKBU-RUZDIDTESA-N
• XLogP: 5.38
• TPSA: 90.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.07
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146485633) is (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is COc1ccc2c(c1)CC1(CCN(c3cnc4nc(Sc5ccnc(C)c5Cl)ccc4n3)CC1)[C@@H]2N.

What is the InChIKey of (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is GFMIJSDHRKHKBU-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27ClN6OS/c1-16-24(28)21(7-10-30-16)36-23-6-5-20-26(33-23)31-15-22(32-20)34-11-8-27(9-12-34)14-17-13-18(35-2)3-4-19(17)25(27)29/h3-7,10,13,15,25H,8-9,11-12,14,29H2,1-2H3/t25-/m1/s1.

What are the key properties of (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 519.07 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146485633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).