5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide

C23H24ClN5O4 — CID 176803137

IUPAC5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cnn2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C23H24ClN5O4/c1-15-2-3-18(26-23(31)20-12-17(24)14-25-28-20)13-19(15)16-10-21(29-4-7-32-8-5-29)27-22(11-16)33-9-6-30/h2-3,10-14,30H,4-9H2,1H3,(H,26,31)
InChIKeyJOYGNKJRMXWEMZ-UHFFFAOYSA-N
MW469.93 g/mol
LogP2.96
Rot. Bonds7

About 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide

5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide (PubChem CID 176803137) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
PubChem CID176803137
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)cnn2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C23H24ClN5O4/c1-15-2-3-18(26-23(31)20-12-17(24)14-25-28-20)13-19(15)16-10-21(29-4-7-32-8-5-29)27-22(11-16)33-9-6-30/h2-3,10-14,30H,4-9H2,1H3,(H,26,31)
InChIKeyJOYGNKJRMXWEMZ-UHFFFAOYSA-N
XLogP2.96
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-cyclopropyl-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide
CID 90460796
3-cyclopropylidene-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155160644
(3S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 155160905
3-hydroxy-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-4-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 155160907
bis(2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide);2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)aniline
CID 164977664
5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
N-[3-[2-[(2R)-2-hydroxy-3-methoxypropoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide
CID 155700189
2-chloro-N-[3-[2-(1-hydroxypropan-2-ylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyrimidine-5-carboxamide
CID 177153017
N-[4-methyl-3-(5-morpholin-4-yl-3-pyridinyl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803173
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803148
[(2R)-2-hydroxy-3-[[4-[2-methyl-5-[[4-(trifluoromethyl)pyridine-2-carbonyl]amino]phenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]propyl] dihydrogen phosphate
CID 118938853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide (CID 176803137) is 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)cnn2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide?
The InChIKey is JOYGNKJRMXWEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-15-2-3-18(26-23(31)20-12-17(24)14-25-28-20)13-19(15)16-10-21(29-4-7-32-8-5-29)27-22(11-16)33-9-6-30/h2-3,10-14,30H,4-9H2,1H3,(H,26,31).
What are the key properties of 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide?
5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 176803137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).