[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol

C18H23N7O2 — CID 11187807

IUPAC[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
SMILESNc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H23N7O2/c19-18-21-15(8-16-20-17(22-25(16)18)14-2-1-7-27-14)24-6-5-23-9-12(11-26)3-4-13(23)10-24/h1-2,7-8,12-13,26H,3-6,9-11H2,(H2,19,21)/t12-,13-/m0/s1
InChIKeyZVDHOEUVHHSDMO-STQMWFEESA-N
MW369.43 g/mol
LogP0.86
Rot. Bonds3

About [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol

[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol (PubChem CID 11187807) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
PubChem CID11187807
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol
SMILESNc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12
InChIInChI=1S/C18H23N7O2/c19-18-21-15(8-16-20-17(22-25(16)18)14-2-1-7-27-14)24-6-5-23-9-12(11-26)3-4-13(23)10-24/h1-2,7-8,12-13,26H,3-6,9-11H2,(H2,19,21)/t12-,13-/m0/s1
InChIKeyZVDHOEUVHHSDMO-STQMWFEESA-N
XLogP0.86
TPSA108.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol with MolForge

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Related Compounds

2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
(7RS,9aRS)-2-furan-2-yl-5-(7-imidazol-1-ylmethyloctahydropyrido[1,2-a]pyrazin-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11154367
(7RS,9aRS)-5-[7-(2-fluoro-phenoxymethyl)-octahydro-pyrido[1,2-a]pyrazin-2-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11282691
(7RS,9aRS)-2-furan-2-yl-5-[7-(pyridin-3-yloxymethyl)-octahydro-pyrido[1,2-a]pyrazin-2-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11339823
N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-N7-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 11476550
5-N-[[(7S,9aR)-2-pyrimidin-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 11293788
5-((7S,9aS)-7-((3-fluorophenoxy)methyl)-hexahydro-1H-pyrido[1,2-a]pyrazin-2(6H)-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11784529
N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-N7-ethyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679348
N7-(cyclopropylmethyl)-N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679349
N7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-N7-(2-methoxyethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine
CID 16679350
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-(2-methylmorpholin-4-yl)ethanone
CID 44387862

Frequently Asked Questions

What is the IUPAC name of [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The IUPAC name of [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol (CID 11187807) is [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol.
What is the SMILES notation for [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The canonical SMILES for [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol is Nc1nc(N2CCN3C[C@@H](CO)CC[C@H]3C2)cc2nc(-c3ccco3)nn12.
What is the InChIKey of [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
The InChIKey is ZVDHOEUVHHSDMO-STQMWFEESA-N. The full InChI is InChI=1S/C18H23N7O2/c19-18-21-15(8-16-20-17(22-25(16)18)14-2-1-7-27-14)24-6-5-23-9-12(11-26)3-4-13(23)10-24/h1-2,7-8,12-13,26H,3-6,9-11H2,(H2,19,21)/t12-,13-/m0/s1.
What are the key properties of [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol?
[(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol has a molecular weight of 369.43 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S,9aS)-2-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl]methanol is sourced from PubChem (CID 11187807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).