[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

C21H25N9OS — CID 170683208

IUPAC[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
SMILESNc1nc(N2CCC3(CC2)Cc2scnc2C3N)cnc1C(=O)N1CCCn2nccc21
InChIInChI=1S/C21H25N9OS/c22-18-16-13(32-12-25-16)10-21(18)3-8-28(9-4-21)14-11-24-17(19(23)27-14)20(31)29-6-1-7-30-15(29)2-5-26-30/h2,5,11-12,18H,1,3-4,6-10,22H2,(H2,23,27)
InChIKeyYJZCQFWLTRNGKA-UHFFFAOYSA-N
MW451.56 g/mol
LogP1.61
Rot. Bonds2

About [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

[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 (PubChem CID 170683208) has the molecular formula C21H25N9OS and a molecular weight of 451.56 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID170683208
Molecular FormulaC21H25N9OS
Molecular Weight451.56 g/mol
Exact Mass451.19
IUPAC Name[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
SMILESNc1nc(N2CCC3(CC2)Cc2scnc2C3N)cnc1C(=O)N1CCCn2nccc21
InChIInChI=1S/C21H25N9OS/c22-18-16-13(32-12-25-16)10-21(18)3-8-28(9-4-21)14-11-24-17(19(23)27-14)20(31)29-6-1-7-30-15(29)2-5-26-30/h2,5,11-12,18H,1,3-4,6-10,22H2,(H2,23,27)
InChIKeyYJZCQFWLTRNGKA-UHFFFAOYSA-N
XLogP1.61
TPSA132.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [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 with MolForge

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Related Compounds

[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
(R)-N-[1'-[6-amino-5-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carbonyl)pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170682943
[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
6-[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-5-chloro-3H-quinazolin-4-one
CID 167307661
(3-amino-6-bromo-5-chloropyrazin-2-yl)-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methanone
CID 170682901
[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-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
6-[3-amino-5-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]pyrazin-2-yl]sulfanyl-5-chloro-3-(2-hydroxy-2-methylpropyl)quinazolin-4-one
CID 166465044
[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
[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
4-[6-[(4S)-4-aminospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-12-one
CID 176639015
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Nc1nc(N2CCC3(CC2)Cc2scnc2C3N)cnc1C(=O)N1CCCn2nccc21.
What is the InChIKey of [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?
The InChIKey is YJZCQFWLTRNGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9OS/c22-18-16-13(32-12-25-16)10-21(18)3-8-28(9-4-21)14-11-24-17(19(23)27-14)20(31)29-6-1-7-30-15(29)2-5-26-30/h2,5,11-12,18H,1,3-4,6-10,22H2,(H2,23,27).
What are the key properties of [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?
[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 has a molecular weight of 451.56 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 170683208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).