2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

C21H23N5O2 — CID 170041170

IUPAC2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)N(C3CCCC3)CCO4)c(O)c2)cn1
InChIInChI=1S/C21H23N5O2/c1-25-13-15(12-22-25)14-6-7-17(19(27)10-14)18-11-20-21(24-23-18)26(8-9-28-20)16-4-2-3-5-16/h6-7,10-13,16,27H,2-5,8-9H2,1H3
InChIKeyZKYBZYKXWLNINY-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.39
Rot. Bonds3

About 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 170041170) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
PubChem CID170041170
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)N(C3CCCC3)CCO4)c(O)c2)cn1
InChIInChI=1S/C21H23N5O2/c1-25-13-15(12-22-25)14-6-7-17(19(27)10-14)18-11-20-21(24-23-18)26(8-9-28-20)16-4-2-3-5-16/h6-7,10-13,16,27H,2-5,8-9H2,1H3
InChIKeyZKYBZYKXWLNINY-UHFFFAOYSA-N
XLogP3.39
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (CID 170041170) is 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(-c3cc4c(nn3)N(C3CCCC3)CCO4)c(O)c2)cn1.
What is the InChIKey of 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is ZKYBZYKXWLNINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-13-15(12-22-25)14-6-7-17(19(27)10-14)18-11-20-21(24-23-18)26(8-9-28-20)16-4-2-3-5-16/h6-7,10-13,16,27H,2-5,8-9H2,1H3.
What are the key properties of 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 377.45 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopentyl-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 170041170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).