3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile

C26H25FN6O3 — CID 177322311

IUPAC3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile
SMILESCOc1cc(C2CN(c3nc4c(c(-c5ccc(C#N)cc5F)n3)CCN(C)C4=O)CC(C)O2)ccn1
InChIInChI=1S/C26H25FN6O3/c1-15-13-33(14-21(36-15)17-6-8-29-22(11-17)35-3)26-30-23(18-5-4-16(12-28)10-20(18)27)19-7-9-32(2)25(34)24(19)31-26/h4-6,8,10-11,15,21H,7,9,13-14H2,1-3H3
InChIKeyUXLZRRSKFPNBQA-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.15
Rot. Bonds4

About 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile

3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile (PubChem CID 177322311) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile
PubChem CID177322311
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile
SMILESCOc1cc(C2CN(c3nc4c(c(-c5ccc(C#N)cc5F)n3)CCN(C)C4=O)CC(C)O2)ccn1
InChIInChI=1S/C26H25FN6O3/c1-15-13-33(14-21(36-15)17-6-8-29-22(11-17)35-3)26-30-23(18-5-4-16(12-28)10-20(18)27)19-7-9-32(2)25(34)24(19)31-26/h4-6,8,10-11,15,21H,7,9,13-14H2,1-3H3
InChIKeyUXLZRRSKFPNBQA-UHFFFAOYSA-N
XLogP3.15
TPSA104.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]-3-fluorobenzonitrile
CID 177322296
3-fluoro-4-[6-[2-(2-methoxy-4-pyridinyl)morpholin-4-yl]-3-methyl-4-oxo-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-8-yl]benzonitrile
CID 176824919
3-fluoro-4-[6-[(2R,4R,6R)-2-(2-methoxy-4-pyridinyl)-6-methyloxan-4-yl]-3-methyl-4-oxo-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-8-yl]benzonitrile
CID 177168717
8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]pyrimido[5,4-d]pyrimidin-4-one
CID 170711597
3-fluoro-4-[(Z)-N-[(2R,6S)-2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-C-[1-methyl-5-(methylamino)-6-oxo-2-(trifluoromethyl)pyrimidin-4-yl]carbonimidoyl]benzonitrile
CID 177168624
13-(4-chloro-2-fluorophenyl)-11-[(2R,6S)-2-methyl-6-(2-methyl-4-pyridinyl)morpholin-4-yl]-2,7,10,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 177152246
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
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
5-[1-[8-(4-cyano-2-fluorophenyl)-3-methyl-4-oxo-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-6-yl]azetidin-3-yl]oxypyrazine-2-carbonitrile
CID 176824841
3-fluoro-4-[3-methyl-6-[(2S,4R,6R)-2-methyl-6-(2-oxo-1H-pyridin-4-yl)oxan-4-yl]-4-oxo-2-(trifluoromethyl)pyrido[3,4-d]pyrimidin-8-yl]benzonitrile
CID 177168744
8-(4-chloro-2-fluorophenyl)-6-[(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887474

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile (CID 177322311) is 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile is COc1cc(C2CN(c3nc4c(c(-c5ccc(C#N)cc5F)n3)CCN(C)C4=O)CC(C)O2)ccn1.
What is the InChIKey of 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile?
The InChIKey is UXLZRRSKFPNBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-15-13-33(14-21(36-15)17-6-8-29-22(11-17)35-3)26-30-23(18-5-4-16(12-28)10-20(18)27)19-7-9-32(2)25(34)24(19)31-26/h4-6,8,10-11,15,21H,7,9,13-14H2,1-3H3.
What are the key properties of 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile?
3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile has a molecular weight of 488.52 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-[2-(2-methoxy-4-pyridinyl)-6-methylmorpholin-4-yl]-7-methyl-8-oxo-5,6-dihydropyrido[3,4-d]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 177322311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).