9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H18F3N5O3 — CID 162628141

IUPAC9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2n1
InChIInChI=1S/C17H18F3N5O3/c1-10-6-12(17(18,19)20)25-13(22-10)7-11(23-25)15(27)24-4-2-16(3-5-24)9-21-14(26)8-28-16/h6-7H,2-5,8-9H2,1H3,(H,21,26)
InChIKeyBUCGFXQAHOWOCL-UHFFFAOYSA-N
MW397.36 g/mol
LogP1.18
Rot. Bonds1

About 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162628141) has the molecular formula C17H18F3N5O3 and a molecular weight of 397.36 g/mol. Its IUPAC name is 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162628141
Molecular FormulaC17H18F3N5O3
Molecular Weight397.36 g/mol
Exact Mass397.14
IUPAC Name9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2n1
InChIInChI=1S/C17H18F3N5O3/c1-10-6-12(17(18,19)20)25-13(22-10)7-11(23-25)15(27)24-4-2-16(3-5-24)9-21-14(26)8-28-16/h6-7H,2-5,8-9H2,1H3,(H,21,26)
InChIKeyBUCGFXQAHOWOCL-UHFFFAOYSA-N
XLogP1.18
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-7-(difluoromethyl)-2-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 2235220
7-[(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56892943
5-Methyl-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2978923
5-methyl-N-(tetrahydrofuran-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 118781769
7-[5-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674326
2-Methyl-7-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135674335
7-(difluoromethyl)-5-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136143972
2-Methyl-6-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136761499
N-(3-ethoxyoxan-4-yl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 168451916
[5-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 3559523
5-Cyclopropyl-7-(difluoromethyl)-N~2~-(3-morpholinopropyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 19453898
5-cyclopropyl-7-(difluoromethyl)-N-[1-(morpholin-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 44820954

Frequently Asked Questions

What is the IUPAC name of 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162628141) is 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2n1.
What is the InChIKey of 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BUCGFXQAHOWOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O3/c1-10-6-12(17(18,19)20)25-13(22-10)7-11(23-25)15(27)24-4-2-16(3-5-24)9-21-14(26)8-28-16/h6-7H,2-5,8-9H2,1H3,(H,21,26).
What are the key properties of 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 397.36 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162628141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).