1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone

C28H30FN5O2 — CID 42870762

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C28H30FN5O2/c29-23-7-5-20(6-8-23)17-26(35)33-12-10-25-24(19-33)27(32-13-15-36-16-14-32)31-28(30-25)34-11-9-21-3-1-2-4-22(21)18-34/h1-8H,9-19H2
InChIKeyICIKVQMESNUWML-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 42870762) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
PubChem CID42870762
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C28H30FN5O2/c29-23-7-5-20(6-8-23)17-26(35)33-12-10-25-24(19-33)27(32-13-15-36-16-14-32)31-28(30-25)34-11-9-21-3-1-2-4-22(21)18-34/h1-8H,9-19H2
InChIKeyICIKVQMESNUWML-UHFFFAOYSA-N
XLogP3.14
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

1-[2-[(3-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 42785781
2-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 42870736
2-(4-fluorophenyl)-1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 7225721
1-[2-[(3-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methoxyphenyl)ethanone
CID 42785796
1-[2-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 7289208
1-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42871127
1-[2-(4-methylpiperidin-1-yl)-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-phenylethanone
CID 46072549
1-[2-[(4-fluorophenyl)methyl]-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,5,5-trimethylhexan-1-one
CID 42784876
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
(2-methylphenyl)-(4-morpholin-4-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 46050939
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
1-(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42786598

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone (CID 42870762) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCc2nc(N3CCc4ccccc4C3)nc(N3CCOCC3)c2C1.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is ICIKVQMESNUWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c29-23-7-5-20(6-8-23)17-26(35)33-12-10-25-24(19-33)27(32-13-15-36-16-14-32)31-28(30-25)34-11-9-21-3-1-2-4-22(21)18-34/h1-8H,9-19H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 487.58 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 42870762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).