2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C24H27N5O4 — CID 110214874

IUPAC2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN3C(=O)c3ccc(Cc4c(C)noc4C)o3)[nH]n2c1=O
InChIInChI=1S/C24H27N5O4/c1-5-17-13(2)25-22-12-19(26-29(22)23(17)30)20-7-6-10-28(20)24(31)21-9-8-16(32-21)11-18-14(3)27-33-15(18)4/h8-9,12,20,26H,5-7,10-11H2,1-4H3
InChIKeyMIUJGDDYTAWCPN-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.66
Rot. Bonds5

About 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214874) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214874
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN3C(=O)c3ccc(Cc4c(C)noc4C)o3)[nH]n2c1=O
InChIInChI=1S/C24H27N5O4/c1-5-17-13(2)25-22-12-19(26-29(22)23(17)30)20-7-6-10-28(20)24(31)21-9-8-16(32-21)11-18-14(3)27-33-15(18)4/h8-9,12,20,26H,5-7,10-11H2,1-4H3
InChIKeyMIUJGDDYTAWCPN-UHFFFAOYSA-N
XLogP3.66
TPSA109.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

6-ethyl-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216122
2-[1-(5,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216136
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214716
(1S,11R)-2-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201232
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl]-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 92605819
2-[1-[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214877
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 96996542
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123507904
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
N-cyclooctyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carboxamide
CID 20966695
2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-6-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124961630
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214874) is 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCCN3C(=O)c3ccc(Cc4c(C)noc4C)o3)[nH]n2c1=O.
What is the InChIKey of 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MIUJGDDYTAWCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-5-17-13(2)25-22-12-19(26-29(22)23(17)30)20-7-6-10-28(20)24(31)21-9-8-16(32-21)11-18-14(3)27-33-15(18)4/h8-9,12,20,26H,5-7,10-11H2,1-4H3.
What are the key properties of 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 449.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]pyrrolidin-2-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).