[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium

C15H24N5O2+ — CID 146866868

IUPAC[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
SMILESC[NH2+]C(OC)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H23N5O2/c1-9-13(15(16-2)22-3)14-18-12(21)8-11(20(14)19-9)10-4-6-17-7-5-10/h8,10,15-17H,4-7H2,1-3H3,(H,18,21)/p+1
InChIKeySMHWRMIWPHQQRE-UHFFFAOYSA-O
MW306.39 g/mol
LogP-0.36
Rot. Bonds4

About [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium

[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium (PubChem CID 146866868) has the molecular formula C15H24N5O2+ and a molecular weight of 306.39 g/mol. Its IUPAC name is [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
PubChem CID146866868
Molecular FormulaC15H24N5O2+
Molecular Weight306.39 g/mol
Exact Mass306.19
IUPAC Name[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium
SMILESC[NH2+]C(OC)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H23N5O2/c1-9-13(15(16-2)22-3)14-18-12(21)8-11(20(14)19-9)10-4-6-17-7-5-10/h8,10,15-17H,4-7H2,1-3H3,(H,18,21)/p+1
InChIKeySMHWRMIWPHQQRE-UHFFFAOYSA-O
XLogP-0.36
TPSA88.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium?
The IUPAC name of [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium (CID 146866868) is [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium.
What is the SMILES notation for [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium?
The canonical SMILES for [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium is C[NH2+]C(OC)c1c(C)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium?
The InChIKey is SMHWRMIWPHQQRE-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23N5O2/c1-9-13(15(16-2)22-3)14-18-12(21)8-11(20(14)19-9)10-4-6-17-7-5-10/h8,10,15-17H,4-7H2,1-3H3,(H,18,21)/p+1.
What are the key properties of [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium?
[methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium has a molecular weight of 306.39 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-(2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]-methylazanium is sourced from PubChem (CID 146866868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).