4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole

C22H21ClFN7O2 — CID 168887394

IUPAC4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole
SMILESO=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOCC3)nc12.c1cnn(C2CC2)c1
InChIInChI=1S/C16H13ClFN5O2.C6H8N2/c17-9-1-2-10(12(18)7-9)13-11-8-19-22-15(24)14(11)21-16(20-13)23-3-5-25-6-4-23;1-4-7-8(5-1)6-2-3-6/h1-2,7-8H,3-6H2,(H,22,24);1,4-6H,2-3H2
InChIKeyYAWCMGGLVDOPIX-UHFFFAOYSA-N
MW469.91 g/mol
LogP3.23
Rot. Bonds3

About 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole

4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole (PubChem CID 168887394) has the molecular formula C22H21ClFN7O2 and a molecular weight of 469.91 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole
PubChem CID168887394
Molecular FormulaC22H21ClFN7O2
Molecular Weight469.91 g/mol
Exact Mass469.14
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole
SMILESO=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOCC3)nc12.c1cnn(C2CC2)c1
InChIInChI=1S/C16H13ClFN5O2.C6H8N2/c17-9-1-2-10(12(18)7-9)13-11-8-19-22-15(24)14(11)21-16(20-13)23-3-5-25-6-4-23;1-4-7-8(5-1)6-2-3-6/h1-2,7-8H,3-6H2,(H,22,24);1,4-6H,2-3H2
InChIKeyYAWCMGGLVDOPIX-UHFFFAOYSA-N
XLogP3.23
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.91
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7H-pyrimido[4,5-d]pyridazin-8-one
CID 170182312
5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one
CID 168887585
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275
1-cyclopropylpyrazole;(2R)-4-[4-(2,4-difluorophenyl)-7-methylpteridin-2-yl]-2-methylmorpholine
CID 157044437
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropylpyrazole;oxane
CID 166121626
4-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2-cyclopropyl-6-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-7-methylpyrimido[4,5-d]pyridazin-8-one
CID 168887422
4-(4-chloro-2-fluorophenyl)-2-[(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-ethylpyrimido[4,5-d]pyridazin-8-one
CID 168887556
1-cyclopropylpyrazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-(2-methylmorpholin-4-yl)-2,6-naphthyridin-1-one
CID 168887542
8-(4-chloro-2-fluorophenyl)-6-(2,2-difluoromorpholin-4-yl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one;1-methylpyrazole
CID 170711927
7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887981
4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]morpholine;(Z)-3-cyclopropyliminoprop-1-en-1-amine
CID 157044637
4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
CID 175076903

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole (CID 168887394) is 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole is O=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOCC3)nc12.c1cnn(C2CC2)c1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole?
The InChIKey is YAWCMGGLVDOPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O2.C6H8N2/c17-9-1-2-10(12(18)7-9)13-11-8-19-22-15(24)14(11)21-16(20-13)23-3-5-25-6-4-23;1-4-7-8(5-1)6-2-3-6/h1-2,7-8H,3-6H2,(H,22,24);1,4-6H,2-3H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole?
4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole has a molecular weight of 469.91 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole is sourced from PubChem (CID 168887394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).