1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

C19H20N4O2 — CID 167777529

IUPAC1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1cc(C)c2c(c1)N(C(=O)Cn1ncc3cc(C)cnc31)CCO2
InChIInChI=1S/C19H20N4O2/c1-12-6-14(3)18-16(8-12)22(4-5-25-18)17(24)11-23-19-15(10-21-23)7-13(2)9-20-19/h6-10H,4-5,11H2,1-3H3
InChIKeyOWCJWMITDPGAIC-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.78
Rot. Bonds2

About 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (PubChem CID 167777529) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
PubChem CID167777529
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCc1cc(C)c2c(c1)N(C(=O)Cn1ncc3cc(C)cnc31)CCO2
InChIInChI=1S/C19H20N4O2/c1-12-6-14(3)18-16(8-12)22(4-5-25-18)17(24)11-23-19-15(10-21-23)7-13(2)9-20-19/h6-10H,4-5,11H2,1-3H3
InChIKeyOWCJWMITDPGAIC-UHFFFAOYSA-N
XLogP2.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (CID 167777529) is 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is Cc1cc(C)c2c(c1)N(C(=O)Cn1ncc3cc(C)cnc31)CCO2.
What is the InChIKey of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The InChIKey is OWCJWMITDPGAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-14(3)18-16(8-12)22(4-5-25-18)17(24)11-23-19-15(10-21-23)7-13(2)9-20-19/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone has a molecular weight of 336.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(5-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 167777529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).