[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C18H26N4O2 — CID 56862025

IUPAC[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCOC(CCCC(C)C)C2)cnc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3
InChIKeyFKHBHSVYXPFHRW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.71
Rot. Bonds5

About [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 56862025) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID56862025
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1c(C(=O)N2CCOC(CCCC(C)C)C2)cnc2ccnn12
InChIInChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3
InChIKeyFKHBHSVYXPFHRW-UHFFFAOYSA-N
XLogP2.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 56862025) is [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1c(C(=O)N2CCOC(CCCC(C)C)C2)cnc2ccnn12.
What is the InChIKey of [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is FKHBHSVYXPFHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)5-4-6-15-12-21(9-10-24-15)18(23)16-11-19-17-7-8-20-22(17)14(16)3/h7-8,11,13,15H,4-6,9-10,12H2,1-3H3.
What are the key properties of [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentyl)morpholin-4-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 56862025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).