(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone

C17H21N5O2 — CID 158859952

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
SMILESC=C1OC2(CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)CN1C
InChIInChI=1S/C17H21N5O2/c1-11-7-12(2)22-15(18-11)8-14(19-22)16(23)21-6-5-17(10-21)9-20(4)13(3)24-17/h7-8H,3,5-6,9-10H2,1-2,4H3
InChIKeyUTNUEQSWJRALJU-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.36
Rot. Bonds1

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone (PubChem CID 158859952) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
PubChem CID158859952
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
SMILESC=C1OC2(CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)CN1C
InChIInChI=1S/C17H21N5O2/c1-11-7-12(2)22-15(18-11)8-14(19-22)16(23)21-6-5-17(10-21)9-20(4)13(3)24-17/h7-8H,3,5-6,9-10H2,1-2,4H3
InChIKeyUTNUEQSWJRALJU-UHFFFAOYSA-N
XLogP1.36
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone (CID 158859952) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone is C=C1OC2(CCN(C(=O)c3cc4nc(C)cc(C)n4n3)C2)CN1C.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is UTNUEQSWJRALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-7-12(2)22-15(18-11)8-14(19-22)16(23)21-6-5-17(10-21)9-20(4)13(3)24-17/h7-8H,3,5-6,9-10H2,1-2,4H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-2-methylidene-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 158859952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).