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

C24H20F3N7O2 — CID 177168620

IUPAC4-[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
SMILESCc1nc2c(-c3ccc(C#N)cc3F)nc(N3CC(c4cnn(C)c4)OC(F)(F)C3)cc2c(=O)n1C
InChIInChI=1S/C24H20F3N7O2/c1-13-30-22-17(23(35)33(13)3)7-20(31-21(22)16-5-4-14(8-28)6-18(16)25)34-11-19(36-24(26,27)12-34)15-9-29-32(2)10-15/h4-7,9-10,19H,11-12H2,1-3H3
InChIKeyKFPLMUGMILEOFJ-UHFFFAOYSA-N
MW495.47 g/mol
LogP3.22
Rot. Bonds3

About 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

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 (PubChem CID 177168620) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID177168620
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name4-[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
SMILESCc1nc2c(-c3ccc(C#N)cc3F)nc(N3CC(c4cnn(C)c4)OC(F)(F)C3)cc2c(=O)n1C
InChIInChI=1S/C24H20F3N7O2/c1-13-30-22-17(23(35)33(13)3)7-20(31-21(22)16-5-4-14(8-28)6-18(16)25)34-11-19(36-24(26,27)12-34)15-9-29-32(2)10-15/h4-7,9-10,19H,11-12H2,1-3H3
InChIKeyKFPLMUGMILEOFJ-UHFFFAOYSA-N
XLogP3.22
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
6-[(6R)-2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 170711707
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
3-fluoro-4-[3-methyl-6-[(2S,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]-4-oxo-2-(trifluoromethyl)pyrido[3,4-d]pyrimidin-8-yl]benzonitrile
CID 177168659
6-(2,2-difluoromorpholin-4-yl)-8-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-d]pyrimidin-4-one
CID 170711699
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
3-[2,3-dimethyl-6-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-4-oxopyrido[3,4-d]pyrimidin-8-yl]bicyclo[1.1.1]pentane-1-carbonitrile
CID 172611973
2,3-dimethyl-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711533
13-(2-fluoro-4-methylphenyl)-11-[(2S)-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 177152250
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[2-methyl-6-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830352
11-[2,2-difluoro-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-13-(2,4-difluorophenyl)-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152292
5-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dimethyl-7-[(2R)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830777

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2c(-c3ccc(C#N)cc3F)nc(N3CC(c4cnn(C)c4)OC(F)(F)C3)cc2c(=O)n1C.
What is the InChIKey of 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?
The InChIKey is KFPLMUGMILEOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-13-30-22-17(23(35)33(13)3)7-20(31-21(22)16-5-4-14(8-28)6-18(16)25)34-11-19(36-24(26,27)12-34)15-9-29-32(2)10-15/h4-7,9-10,19H,11-12H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 495.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177168620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).