8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C20H25N9O — CID 162770312

IUPAC8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2ncco2)nc(N)n2nc(CCN3CCn4c(cnc4C(C)C)C3)nc12
InChIInChI=1S/C20H25N9O/c1-12(2)17-23-10-14-11-27(7-8-28(14)17)6-4-15-24-18-13(3)16(19-22-5-9-30-19)25-20(21)29(18)26-15/h5,9-10,12H,4,6-8,11H2,1-3H3,(H2,21,25)
InChIKeyBSIHXYTUSNYTSU-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.05
Rot. Bonds5

About 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 162770312) has the molecular formula C20H25N9O and a molecular weight of 407.48 g/mol. Its IUPAC name is 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID162770312
Molecular FormulaC20H25N9O
Molecular Weight407.48 g/mol
Exact Mass407.22
IUPAC Name8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1c(-c2ncco2)nc(N)n2nc(CCN3CCn4c(cnc4C(C)C)C3)nc12
InChIInChI=1S/C20H25N9O/c1-12(2)17-23-10-14-11-27(7-8-28(14)17)6-4-15-24-18-13(3)16(19-22-5-9-30-19)25-20(21)29(18)26-15/h5,9-10,12H,4,6-8,11H2,1-3H3,(H2,21,25)
InChIKeyBSIHXYTUSNYTSU-UHFFFAOYSA-N
XLogP2.05
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 162770312) is 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1c(-c2ncco2)nc(N)n2nc(CCN3CCn4c(cnc4C(C)C)C3)nc12.
What is the InChIKey of 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BSIHXYTUSNYTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O/c1-12(2)17-23-10-14-11-27(7-8-28(14)17)6-4-15-24-18-13(3)16(19-22-5-9-30-19)25-20(21)29(18)26-15/h5,9-10,12H,4,6-8,11H2,1-3H3,(H2,21,25).
What are the key properties of 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 407.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(1,3-oxazol-2-yl)-2-[2-(3-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 162770312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).