5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol

C19H19ClN4O2 — CID 170173123

IUPAC5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESC[C@@H]1C[C@H](Nc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)CCO1
InChIInChI=1S/C19H19ClN4O2/c1-11-8-13(5-7-26-11)22-19-16-10-21-6-4-14(16)18(23-24-19)15-3-2-12(20)9-17(15)25/h2-4,6,9-11,13,25H,5,7-8H2,1H3,(H,22,24)/t11-,13-/m1/s1
InChIKeyALCFGSZCJVWTSP-DGCLKSJQSA-N
MW370.84 g/mol
LogP4.03
Rot. Bonds3

About 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol

5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol (PubChem CID 170173123) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
PubChem CID170173123
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESC[C@@H]1C[C@H](Nc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)CCO1
InChIInChI=1S/C19H19ClN4O2/c1-11-8-13(5-7-26-11)22-19-16-10-21-6-4-14(16)18(23-24-19)15-3-2-12(20)9-17(15)25/h2-4,6,9-11,13,25H,5,7-8H2,1H3,(H,22,24)/t11-,13-/m1/s1
InChIKeyALCFGSZCJVWTSP-DGCLKSJQSA-N
XLogP4.03
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-2-[4-(oxolan-3-ylamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171553769
5-chloro-2-[4-[(3,3-difluorocyclopentyl)amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 174213852
5-chloro-2-[4-(iodoamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 167041348
5-chloro-2-[4-[[(1R,2R)-3-(2,2-difluoroethylidene)-2-hydroxycyclohexyl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171829531
2-[4-[[(3R)-oxan-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852478
5-chloro-2-[4-[[(3S)-oxolan-3-yl]methyl]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 165036763
7-chloro-N-[(2R,4S)-2-methyloxan-4-yl]quinazolin-4-amine
CID 97253924
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 167555748
2-[4-[[(1S,5R)-3-oxabicyclo[3.2.1]octan-8-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-(trifluoromethyl)phenol
CID 171553788
5-chloro-N-(2-methyloxan-4-yl)pyrimidin-2-amine
CID 103889202
1-(2-methoxy-4-methylphenyl)-N-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171553774

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol (CID 170173123) is 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol is C[C@@H]1C[C@H](Nc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)CCO1.
What is the InChIKey of 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is ALCFGSZCJVWTSP-DGCLKSJQSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11-8-13(5-7-26-11)22-19-16-10-21-6-4-14(16)18(23-24-19)15-3-2-12(20)9-17(15)25/h2-4,6,9-11,13,25H,5,7-8H2,1H3,(H,22,24)/t11-,13-/m1/s1.
What are the key properties of 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol?
5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 370.84 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 170173123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).