6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

C18H24N6O2 — CID 126889209

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C18H24N6O2/c1-13-10-16(20-12-19-13)22(2)14-4-7-23(8-5-14)18(25)15-11-17-24(21-15)6-3-9-26-17/h10-12,14H,3-9H2,1-2H3
InChIKeyIDRSWPUGMWSBJN-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.51
Rot. Bonds3

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 126889209) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID126889209
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCc1cc(N(C)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1
InChIInChI=1S/C18H24N6O2/c1-13-10-16(20-12-19-13)22(2)14-4-7-23(8-5-14)18(25)15-11-17-24(21-15)6-3-9-26-17/h10-12,14H,3-9H2,1-2H3
InChIKeyIDRSWPUGMWSBJN-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 126889209) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is Cc1cc(N(C)C2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)ncn1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is IDRSWPUGMWSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-13-10-16(20-12-19-13)22(2)14-4-7-23(8-5-14)18(25)15-11-17-24(21-15)6-3-9-26-17/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 356.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).