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

C26H26ClN7OS — CID 146554063

IUPAC(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCOc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2
InChIInChI=1S/C26H26ClN7OS/c1-35-16-3-2-15-13-26(23(28)17(15)12-16)7-10-34(11-8-26)20-14-31-25-18(32-20)4-5-21(33-25)36-19-6-9-30-24(29)22(19)27/h2-6,9,12,14,23H,7-8,10-11,13,28H2,1H3,(H2,29,30)/t23-/m1/s1
InChIKeyXSVLQUPXLDCENB-HSZRJFAPSA-N
MW520.06 g/mol
LogP4.66
Rot. Bonds4

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

(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 146554063) has the molecular formula C26H26ClN7OS and a molecular weight of 520.06 g/mol. Its IUPAC name is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID146554063
Molecular FormulaC26H26ClN7OS
Molecular Weight520.06 g/mol
Exact Mass519.16
IUPAC Name(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESCOc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2
InChIInChI=1S/C26H26ClN7OS/c1-35-16-3-2-15-13-26(23(28)17(15)12-16)7-10-34(11-8-26)20-14-31-25-18(32-20)4-5-21(33-25)36-19-6-9-30-24(29)22(19)27/h2-6,9,12,14,23H,7-8,10-11,13,28H2,1H3,(H2,29,30)/t23-/m1/s1
InChIKeyXSVLQUPXLDCENB-HSZRJFAPSA-N
XLogP4.66
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.06
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 146554063) is (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is COc1ccc2c(c1)[C@@H](N)C1(CCN(c3cnc4nc(Sc5ccnc(N)c5Cl)ccc4n3)CC1)C2.
What is the InChIKey of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is XSVLQUPXLDCENB-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26ClN7OS/c1-35-16-3-2-15-13-26(23(28)17(15)12-16)7-10-34(11-8-26)20-14-31-25-18(32-20)4-5-21(33-25)36-19-6-9-30-24(29)22(19)27/h2-6,9,12,14,23H,7-8,10-11,13,28H2,1H3,(H2,29,30)/t23-/m1/s1.
What are the key properties of (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 520.06 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 146554063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).