6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one

C23H25ClN6O2S — CID 163362567

IUPAC6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
SMILESCOc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)[nH]c3=O)CC1)[C@@H]2N
InChIInChI=1S/C23H25ClN6O2S/c1-32-14-2-3-15-13(10-14)11-23(19(15)25)5-8-30(9-6-23)21-22(31)29-17(12-28-21)33-16-4-7-27-20(26)18(16)24/h2-4,7,10,12,19H,5-6,8-9,11,25H2,1H3,(H2,26,27)(H,29,31)/t19-/m1/s1
InChIKeyGLODHKZQUZYSDK-LJQANCHMSA-N
MW485.01 g/mol
LogP3.40
Rot. Bonds4

About 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one

6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one (PubChem CID 163362567) has the molecular formula C23H25ClN6O2S and a molecular weight of 485.01 g/mol. Its IUPAC name is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
PubChem CID163362567
Molecular FormulaC23H25ClN6O2S
Molecular Weight485.01 g/mol
Exact Mass484.14
IUPAC Name6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
SMILESCOc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)[nH]c3=O)CC1)[C@@H]2N
InChIInChI=1S/C23H25ClN6O2S/c1-32-14-2-3-15-13(10-14)11-23(19(15)25)5-8-30(9-6-23)21-22(31)29-17(12-28-21)33-16-4-7-27-20(26)18(16)24/h2-4,7,10,12,19H,5-6,8-9,11,25H2,1H3,(H2,26,27)(H,29,31)/t19-/m1/s1
InChIKeyGLODHKZQUZYSDK-LJQANCHMSA-N
XLogP3.40
TPSA123.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one?
The IUPAC name of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one (CID 163362567) is 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one is COc1ccc2c(c1)CC1(CCN(c3ncc(Sc4ccnc(N)c4Cl)[nH]c3=O)CC1)[C@@H]2N.
What is the InChIKey of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one?
The InChIKey is GLODHKZQUZYSDK-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25ClN6O2S/c1-32-14-2-3-15-13(10-14)11-23(19(15)25)5-8-30(9-6-23)21-22(31)29-17(12-28-21)33-16-4-7-27-20(26)18(16)24/h2-4,7,10,12,19H,5-6,8-9,11,25H2,1H3,(H2,26,27)(H,29,31)/t19-/m1/s1.
What are the key properties of 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one?
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one has a molecular weight of 485.01 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 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-amino-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 163362567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).