8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole

C25H28ClFN6O2 — CID 170711606

IUPAC8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C.Cn1cccn1
InChIInChI=1S/C21H22ClFN4O2.C4H6N2/c1-12-24-19-15(20(28)26(12)4)10-17(27-7-8-29-21(2,3)11-27)25-18(19)14-6-5-13(22)9-16(14)23;1-6-4-2-3-5-6/h5-6,9-10H,7-8,11H2,1-4H3;2-4H,1H3
InChIKeyFJSNGYMBMACMQK-UHFFFAOYSA-N
MW498.99 g/mol
LogP4.13
Rot. Bonds2

About 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole

8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole (PubChem CID 170711606) has the molecular formula C25H28ClFN6O2 and a molecular weight of 498.99 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole
PubChem CID170711606
Molecular FormulaC25H28ClFN6O2
Molecular Weight498.99 g/mol
Exact Mass498.19
IUPAC Name8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C.Cn1cccn1
InChIInChI=1S/C21H22ClFN4O2.C4H6N2/c1-12-24-19-15(20(28)26(12)4)10-17(27-7-8-29-21(2,3)11-27)25-18(19)14-6-5-13(22)9-16(14)23;1-6-4-2-3-5-6/h5-6,9-10H,7-8,11H2,1-4H3;2-4H,1H3
InChIKeyFJSNGYMBMACMQK-UHFFFAOYSA-N
XLogP4.13
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.99
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-(4-chloro-2-fluorophenyl)-6-(2,2-difluoromorpholin-4-yl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one;1-methylpyrazole
CID 170711927
6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 170711699
8-[6-(difluoromethyl)-3-pyridinyl]-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 170711649
8-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 172611966
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-spiro[1,2-dihydroindene-3,2'-morpholine]-4'-ylpyrimido[5,4-d]pyrimidin-4-one
CID 170711453
2,3-dimethyl-6-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4,5-trifluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 174162995
8-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-6-[(6S)-6-(1-methylpyrazol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-8-yl]pyrido[3,4-d]pyrimidin-4-one
CID 170711524
4-[6-[2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,3-dimethyl-4-oxopyrido[3,4-d]pyrimidin-8-yl]-3-fluorobenzonitrile
CID 177168620
5-(4-chloro-2-fluorophenyl)-7-[(2R)-2-cyclobutylmorpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
CID 166830854
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-(2,2,2-trifluoroethyl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830588
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830363
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

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole?
The IUPAC name of 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole (CID 170711606) is 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole.
What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole?
The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole is Cc1nc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(C)(C)C3)cc2c(=O)n1C.Cn1cccn1.
What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole?
The InChIKey is FJSNGYMBMACMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2.C4H6N2/c1-12-24-19-15(20(28)26(12)4)10-17(27-7-8-29-21(2,3)11-27)25-18(19)14-6-5-13(22)9-16(14)23;1-6-4-2-3-5-6/h5-6,9-10H,7-8,11H2,1-4H3;2-4H,1H3.
What are the key properties of 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole?
8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole has a molecular weight of 498.99 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2-fluorophenyl)-6-(2,2-dimethylmorpholin-4-yl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one;1-methylpyrazole is sourced from PubChem (CID 170711606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).