2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol

C19H20N4O2 — CID 170259056

IUPAC2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CC(O)C3)c3cccnc23)c(O)c1
InChIInChI=1S/C19H20N4O2/c1-10-6-11(2)16(15(25)7-10)18-17-14(4-3-5-20-17)19(23-22-18)21-12-8-13(24)9-12/h3-7,12-13,24-25H,8-9H2,1-2H3,(H,21,23)
InChIKeyNXONUXPBCYJQNF-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.95
Rot. Bonds3

About 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol

2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol (PubChem CID 170259056) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol
PubChem CID170259056
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2nnc(NC3CC(O)C3)c3cccnc23)c(O)c1
InChIInChI=1S/C19H20N4O2/c1-10-6-11(2)16(15(25)7-10)18-17-14(4-3-5-20-17)19(23-22-18)21-12-8-13(24)9-12/h3-7,12-13,24-25H,8-9H2,1-2H3,(H,21,23)
InChIKeyNXONUXPBCYJQNF-UHFFFAOYSA-N
XLogP2.95
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol 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 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol (CID 170259056) is 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2nnc(NC3CC(O)C3)c3cccnc23)c(O)c1.
What is the InChIKey of 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol?
The InChIKey is NXONUXPBCYJQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-10-6-11(2)16(15(25)7-10)18-17-14(4-3-5-20-17)19(23-22-18)21-12-8-13(24)9-12/h3-7,12-13,24-25H,8-9H2,1-2H3,(H,21,23).
What are the key properties of 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol?
2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol has a molecular weight of 336.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-hydroxycyclobutyl)amino]pyrido[2,3-d]pyridazin-8-yl]-3,5-dimethylphenol is sourced from PubChem (CID 170259056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).