9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C18H23N5O3 — CID 56918533

IUPAC9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2n1
InChIInChI=1S/C18H23N5O3/c1-11-9-12(2)23-15(20-11)14(13(3)21-23)16(24)22-7-4-5-18(6-8-22)10-19-17(25)26-18/h9H,4-8,10H2,1-3H3,(H,19,25)
InChIKeyBCVINQVCNYNBEW-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.76
Rot. Bonds1

About 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56918533) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56918533
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1cc(C)n2nc(C)c(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2n1
InChIInChI=1S/C18H23N5O3/c1-11-9-12(2)23-15(20-11)14(13(3)21-23)16(24)22-7-4-5-18(6-8-22)10-19-17(25)26-18/h9H,4-8,10H2,1-3H3,(H,19,25)
InChIKeyBCVINQVCNYNBEW-UHFFFAOYSA-N
XLogP1.76
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56918533) is 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1cc(C)n2nc(C)c(C(=O)N3CCCC4(CC3)CNC(=O)O4)c2n1.
What is the InChIKey of 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BCVINQVCNYNBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-9-12(2)23-15(20-11)14(13(3)21-23)16(24)22-7-4-5-18(6-8-22)10-19-17(25)26-18/h9H,4-8,10H2,1-3H3,(H,19,25).
What are the key properties of 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 357.41 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56918533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).