1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one

C18H19N7O2 — CID 118466958

IUPAC1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(c2cc(Nc3cc4n(n3)CCOC4)c3ncnn3c2)C1
InChIInChI=1S/C18H19N7O2/c1-2-17(26)23-7-13(8-23)12-5-15(18-19-11-20-25(18)9-12)21-16-6-14-10-27-4-3-24(14)22-16/h2,5-6,9,11,13H,1,3-4,7-8,10H2,(H,21,22)
InChIKeyVVGXLKHTWSUNCY-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.31
Rot. Bonds4

About 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one

1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 118466958) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one
PubChem CID118466958
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(c2cc(Nc3cc4n(n3)CCOC4)c3ncnn3c2)C1
InChIInChI=1S/C18H19N7O2/c1-2-17(26)23-7-13(8-23)12-5-15(18-19-11-20-25(18)9-12)21-16-6-14-10-27-4-3-24(14)22-16/h2,5-6,9,11,13H,1,3-4,7-8,10H2,(H,21,22)
InChIKeyVVGXLKHTWSUNCY-UHFFFAOYSA-N
XLogP1.31
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one (CID 118466958) is 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(c2cc(Nc3cc4n(n3)CCOC4)c3ncnn3c2)C1.
What is the InChIKey of 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is VVGXLKHTWSUNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-2-17(26)23-7-13(8-23)12-5-15(18-19-11-20-25(18)9-12)21-16-6-14-10-27-4-3-24(14)22-16/h2,5-6,9,11,13H,1,3-4,7-8,10H2,(H,21,22).
What are the key properties of 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one?
1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 365.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 118466958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).