(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone

C18H26N4O — CID 811820

IUPAC(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O/c1-12-6-8-21(9-7-12)17(23)14-11-19-16-10-15(18(3,4)5)20-22(16)13(14)2/h10-12H,6-9H2,1-5H3
InChIKeyCUXYUUSDNDVWLY-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.21
Rot. Bonds1

About (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone

(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 811820) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID811820
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC2)cnc2cc(C(C)(C)C)nn12
InChIInChI=1S/C18H26N4O/c1-12-6-8-21(9-7-12)17(23)14-11-19-16-10-15(18(3,4)5)20-22(16)13(14)2/h10-12H,6-9H2,1-5H3
InChIKeyCUXYUUSDNDVWLY-UHFFFAOYSA-N
XLogP3.21
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone (CID 811820) is (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(C)CC2)cnc2cc(C(C)(C)C)nn12.
What is the InChIKey of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CUXYUUSDNDVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-6-8-21(9-7-12)17(23)14-11-19-16-10-15(18(3,4)5)20-22(16)13(14)2/h10-12H,6-9H2,1-5H3.
What are the key properties of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone?
(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 811820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).