(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C18H24N4O — CID 129066369

IUPAC(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCc1cc(N2C3CC[C@@H]2COC3)n2nc(C3CC(C)C3)cc2n1
InChIInChI=1S/C18H24N4O/c1-11-5-13(6-11)16-8-17-19-12(2)7-18(22(17)20-16)21-14-3-4-15(21)10-23-9-14/h7-8,11,13-15H,3-6,9-10H2,1-2H3/t11?,13?,14-,15?/m1/s1
InChIKeyHRMCUATYKXVUSI-LSPKCOCLSA-N
MW312.42 g/mol
LogP2.92
Rot. Bonds2

About (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane

(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 129066369) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID129066369
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCc1cc(N2C3CC[C@@H]2COC3)n2nc(C3CC(C)C3)cc2n1
InChIInChI=1S/C18H24N4O/c1-11-5-13(6-11)16-8-17-19-12(2)7-18(22(17)20-16)21-14-3-4-15(21)10-23-9-14/h7-8,11,13-15H,3-6,9-10H2,1-2H3/t11?,13?,14-,15?/m1/s1
InChIKeyHRMCUATYKXVUSI-LSPKCOCLSA-N
XLogP2.92
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 129066369) is (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane is Cc1cc(N2C3CC[C@@H]2COC3)n2nc(C3CC(C)C3)cc2n1.
What is the InChIKey of (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is HRMCUATYKXVUSI-LSPKCOCLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11-5-13(6-11)16-8-17-19-12(2)7-18(22(17)20-16)21-14-3-4-15(21)10-23-9-14/h7-8,11,13-15H,3-6,9-10H2,1-2H3/t11?,13?,14-,15?/m1/s1.
What are the key properties of (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
(5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 312.42 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-[5-methyl-2-(3-methylcyclobutyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129066369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).