6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

C24H23ClFN5O2 — CID 176675592

IUPAC6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)n2c(=O)c1C
InChIInChI=1S/C24H23ClFN5O2/c1-14-15(2)28-23-10-18(30-6-7-33-22(13-30)16-11-27-29(3)12-16)9-21(31(23)24(14)32)19-5-4-17(25)8-20(19)26/h4-5,8-12,22H,6-7,13H2,1-3H3/t22-/m0/s1
InChIKeyJBMWXFQQVQLQCK-QFIPXVFZSA-N
MW467.93 g/mol
LogP4.08
Rot. Bonds3

About 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one

6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 176675592) has the molecular formula C24H23ClFN5O2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID176675592
Molecular FormulaC24H23ClFN5O2
Molecular Weight467.93 g/mol
Exact Mass467.15
IUPAC Name6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2cc(N3CCO[C@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)n2c(=O)c1C
InChIInChI=1S/C24H23ClFN5O2/c1-14-15(2)28-23-10-18(30-6-7-33-22(13-30)16-11-27-29(3)12-16)9-21(31(23)24(14)32)19-5-4-17(25)8-20(19)26/h4-5,8-12,22H,6-7,13H2,1-3H3/t22-/m0/s1
InChIKeyJBMWXFQQVQLQCK-QFIPXVFZSA-N
XLogP4.08
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]quinazolin-4-one
CID 166830553
9-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazino[1,2-a]pyrimidin-4-one
CID 177152230
13-(4-chloro-2-fluorophenyl)-4,4-difluoro-11-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151814
(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044906
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174185344
1-(2,4-difluorophenyl)-3-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-6,7,8,9-tetrahydropyrimido[6,1-b]quinazolin-10-one
CID 177151489
3-(4-chloro-2-fluorophenyl)-2-(3-methylbut-2-en-2-ylimino)-5-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrazine-1-carbaldehyde
CID 176675670
5-(4-chloro-2,5-difluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830504
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830728
8-(2-chloro-4-fluorophenyl)-2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711645
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]imidazo[1,2-a]pyridine
CID 178069922
4-(8-chloro-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-2-(1-methylpyrazol-4-yl)morpholine
CID 174185347

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 176675592) is 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc2cc(N3CCO[C@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)n2c(=O)c1C.
What is the InChIKey of 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JBMWXFQQVQLQCK-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H23ClFN5O2/c1-14-15(2)28-23-10-18(30-6-7-33-22(13-30)16-11-27-29(3)12-16)9-21(31(23)24(14)32)19-5-4-17(25)8-20(19)26/h4-5,8-12,22H,6-7,13H2,1-3H3/t22-/m0/s1.
What are the key properties of 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one?
6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 467.93 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-fluorophenyl)-2,3-dimethyl-8-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176675592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).