8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one

C26H25N5O3 — CID 135203514

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one
SMILESCOc1ccc2ccc(=O)n(Cc3ccc(-c4c(C)n[nH]c4C)cn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C26H25N5O3/c1-14-23(15(2)29-28-14)19-6-9-20(27-12-19)13-31-22(32)11-8-18-7-10-21(33-5)25(26(18)31)24-16(3)30-34-17(24)4/h6-12H,13H2,1-5H3,(H,28,29)
InChIKeyCHFUAKWURUWCHH-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.73
Rot. Bonds5

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one

8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one (PubChem CID 135203514) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one
PubChem CID135203514
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one
SMILESCOc1ccc2ccc(=O)n(Cc3ccc(-c4c(C)n[nH]c4C)cn3)c2c1-c1c(C)noc1C
InChIInChI=1S/C26H25N5O3/c1-14-23(15(2)29-28-14)19-6-9-20(27-12-19)13-31-22(32)11-8-18-7-10-21(33-5)25(26(18)31)24-16(3)30-34-17(24)4/h6-12H,13H2,1-5H3,(H,28,29)
InChIKeyCHFUAKWURUWCHH-UHFFFAOYSA-N
XLogP4.73
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one (CID 135203514) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one is COc1ccc2ccc(=O)n(Cc3ccc(-c4c(C)n[nH]c4C)cn3)c2c1-c1c(C)noc1C.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?
The InChIKey is CHFUAKWURUWCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-14-23(15(2)29-28-14)19-6-9-20(27-12-19)13-31-22(32)11-8-18-7-10-21(33-5)25(26(18)31)24-16(3)30-34-17(24)4/h6-12H,13H2,1-5H3,(H,28,29).
What are the key properties of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one?
8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one has a molecular weight of 455.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-pyridinyl]methyl]-7-methoxyquinolin-2-one is sourced from PubChem (CID 135203514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).