3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile

C25H24FN5O2 — CID 42870724

IUPAC3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccccc4F)c3C2)c1
InChIInChI=1S/C25H24FN5O2/c26-21-6-1-2-7-23(21)33-24-20-17-30(16-19-5-3-4-18(14-19)15-27)9-8-22(20)28-25(29-24)31-10-12-32-13-11-31/h1-7,14H,8-13,16-17H2
InChIKeyODZGLDNXTWVULZ-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.67
Rot. Bonds5

About 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile

3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile (PubChem CID 42870724) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
PubChem CID42870724
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccccc4F)c3C2)c1
InChIInChI=1S/C25H24FN5O2/c26-21-6-1-2-7-23(21)33-24-20-17-30(16-19-5-3-4-18(14-19)15-27)9-8-22(20)28-25(29-24)31-10-12-32-13-11-31/h1-7,14H,8-13,16-17H2
InChIKeyODZGLDNXTWVULZ-UHFFFAOYSA-N
XLogP3.67
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072518
3-[[4-(4-fluorophenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 46072411
4-[6-[(2-fluoro-5-methylphenyl)methyl]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072361
3-[(4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 42870721
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
4-[4-(2-fluorophenoxy)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072363
(3,5-dimethoxyphenyl)-[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871255
4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072228
4-[4-(2-methylphenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870585
4-[4-(3-methoxyphenoxy)-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072447
2-[[4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-6-methoxyphenol
CID 46072530
4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072235

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile (CID 42870724) is 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCc3nc(N4CCOCC4)nc(Oc4ccccc4F)c3C2)c1.
What is the InChIKey of 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile?
The InChIKey is ODZGLDNXTWVULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-21-6-1-2-7-23(21)33-24-20-17-30(16-19-5-3-4-18(14-19)15-27)9-8-22(20)28-25(29-24)31-10-12-32-13-11-31/h1-7,14H,8-13,16-17H2.
What are the key properties of 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile?
3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile has a molecular weight of 445.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile is sourced from PubChem (CID 42870724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).