[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone

C24H25F3N8OS — CID 170682967

IUPAC[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESNc1nc2c(s1)CN(C(=O)c1ncc(N3CCC4(CC3)Cc3ccc(F)cc3C4N)nc1N)CC2(F)F
InChIInChI=1S/C24H25F3N8OS/c25-13-2-1-12-8-23(18(28)14(12)7-13)3-5-34(6-4-23)16-9-31-17(20(29)32-16)21(36)35-10-15-19(24(26,27)11-35)33-22(30)37-15/h1-2,7,9,18H,3-6,8,10-11,28H2,(H2,29,32)(H2,30,33)
InChIKeyAINBVBVGGLHKMR-UHFFFAOYSA-N
MW530.58 g/mol
LogP2.83
Rot. Bonds2

About [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone

[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (PubChem CID 170682967) has the molecular formula C24H25F3N8OS and a molecular weight of 530.58 g/mol. Its IUPAC name is [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
PubChem CID170682967
Molecular FormulaC24H25F3N8OS
Molecular Weight530.58 g/mol
Exact Mass530.18
IUPAC Name[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
SMILESNc1nc2c(s1)CN(C(=O)c1ncc(N3CCC4(CC3)Cc3ccc(F)cc3C4N)nc1N)CC2(F)F
InChIInChI=1S/C24H25F3N8OS/c25-13-2-1-12-8-23(18(28)14(12)7-13)3-5-34(6-4-23)16-9-31-17(20(29)32-16)21(36)35-10-15-19(24(26,27)11-35)33-22(30)37-15/h1-2,7,9,18H,3-6,8,10-11,28H2,(H2,29,32)(H2,30,33)
InChIKeyAINBVBVGGLHKMR-UHFFFAOYSA-N
XLogP2.83
TPSA140.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.58
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone with MolForge

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Related Compounds

[3-amino-5-[(1S)-1-amino-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 170682891
[3-amino-5-[(1S)-1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170682942
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dimethyl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683025
[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-amino-3,3-difluoro-2H-pyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170682926
[3-amino-5-(1-amino-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170683092
(R)-N-[1'-[6-amino-5-(2-amino-7,7-dideuterio-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl)pyrazin-2-yl]-6-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170683121
[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydroindol-1-yl)methanone
CID 170682894
[3-amino-5-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-methylpyrazin-2-yl]-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 170682916
[3-amino-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-(5-amino-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
CID 170683175
3-[(3S)-3-amino-1'-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454750
[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170682899
[3-amino-5-(4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl)pyrazin-2-yl]-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170683208

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The IUPAC name of [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone (CID 170682967) is [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone.
What is the SMILES notation for [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The canonical SMILES for [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is Nc1nc2c(s1)CN(C(=O)c1ncc(N3CCC4(CC3)Cc3ccc(F)cc3C4N)nc1N)CC2(F)F.
What is the InChIKey of [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
The InChIKey is AINBVBVGGLHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N8OS/c25-13-2-1-12-8-23(18(28)14(12)7-13)3-5-34(6-4-23)16-9-31-17(20(29)32-16)21(36)35-10-15-19(24(26,27)11-35)33-22(30)37-15/h1-2,7,9,18H,3-6,8,10-11,28H2,(H2,29,32)(H2,30,33).
What are the key properties of [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone?
[3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone has a molecular weight of 530.58 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)pyrazin-2-yl]-(2-amino-7,7-difluoro-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170682967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).