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

C20H21ClN4O2 — CID 167555748

IUPAC5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESCN1CCO[C@H](CCc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)C1
InChIInChI=1S/C20H21ClN4O2/c1-25-8-9-27-14(12-25)3-5-18-17-11-22-7-6-15(17)20(24-23-18)16-4-2-13(21)10-19(16)26/h2,4,6-7,10-11,14,26H,3,5,8-9,12H2,1H3/t14-/m1/s1
InChIKeyCZJANCRTDQYWRN-CQSZACIVSA-N
MW384.87 g/mol
LogP3.31
Rot. Bonds4

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

5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol (PubChem CID 167555748) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
PubChem CID167555748
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
SMILESCN1CCO[C@H](CCc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)C1
InChIInChI=1S/C20H21ClN4O2/c1-25-8-9-27-14(12-25)3-5-18-17-11-22-7-6-15(17)20(24-23-18)16-4-2-13(21)10-19(16)26/h2,4,6-7,10-11,14,26H,3,5,8-9,12H2,1H3/t14-/m1/s1
InChIKeyCZJANCRTDQYWRN-CQSZACIVSA-N
XLogP3.31
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-[4-[2-(4-methylmorpholin-2-yl)ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 165024940
5-chloro-2-[4-[[(3S)-oxolan-3-yl]methyl]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 165036763
5-chloro-2-[4-[[(2R,4R)-2-methyloxan-4-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 170173123
5-chloro-2-[4-(oxolan-3-ylamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 171553769
5-chloro-2-[4-(iodoamino)pyrido[3,4-d]pyridazin-1-yl]phenol
CID 167041348
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
2,4-dichloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710540
2-[4-(3-methoxy-3-methylbutyl)pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 165023400
5-ethynyl-2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]phenol
CID 168973541
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol (CID 167555748) is 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol is CN1CCO[C@H](CCc2nnc(-c3ccc(Cl)cc3O)c3ccncc23)C1.
What is the InChIKey of 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is CZJANCRTDQYWRN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-25-8-9-27-14(12-25)3-5-18-17-11-22-7-6-15(17)20(24-23-18)16-4-2-13(21)10-19(16)26/h2,4,6-7,10-11,14,26H,3,5,8-9,12H2,1H3/t14-/m1/s1.
What are the key properties of 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol?
5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 384.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]pyrido[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 167555748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).