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

C16H21N5O2 — CID 146642722

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CN(C)CO4)C3)cc2n1
InChIInChI=1S/C16H21N5O2/c1-11-6-12(2)21-14(17-11)7-13(18-21)15(22)20-5-4-16(9-20)8-19(3)10-23-16/h6-7H,4-5,8-10H2,1-3H3
InChIKeyCDJZPXPMNZAXRD-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.85
Rot. Bonds1

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

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone (PubChem CID 146642722) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-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-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
PubChem CID146642722
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCC4(CN(C)CO4)C3)cc2n1
InChIInChI=1S/C16H21N5O2/c1-11-6-12(2)21-14(17-11)7-13(18-21)15(22)20-5-4-16(9-20)8-19(3)10-23-16/h6-7H,4-5,8-10H2,1-3H3
InChIKeyCDJZPXPMNZAXRD-UHFFFAOYSA-N
XLogP0.85
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56892943
5,7-dimethyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 56752808
2-tert-butyl-N,N-diethyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24717009
5-Methyl-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2978923
[5,7-Bis(difluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](1-pyrrolidinyl)methanone
CID 4775479
N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74241193
(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)-[(2S)-2-[1-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 99933795
2,5,7-trimethyl-N-[trans-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118789966
(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 164641297
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-[5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 137533140
Sdccgsbi-0116854.P001
CID 45186776
7-[(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56890822

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-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-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone (CID 146642722) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-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-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-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone is Cc1cc(C)n2nc(C(=O)N3CCC4(CN(C)CO4)C3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is CDJZPXPMNZAXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-6-12(2)21-14(17-11)7-13(18-21)15(22)20-5-4-16(9-20)8-19(3)10-23-16/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 0.85, 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-1-oxa-3,7-diazaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 146642722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).