2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C25H23FN6O3 — CID 138635269

IUPAC2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C25H23FN6O3/c1-13-18(19-21(31-25(2)8-9-25)27-12-28-23(19)35-13)24(34)32-10-7-16-17(11-32)29-20(30-22(16)33)14-3-5-15(26)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,27,28,31)(H,29,30,33)
InChIKeySDRAOHNGYWZWSL-UHFFFAOYSA-N
MW474.50 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 138635269) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID138635269
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1
InChIInChI=1S/C25H23FN6O3/c1-13-18(19-21(31-25(2)8-9-25)27-12-28-23(19)35-13)24(34)32-10-7-16-17(11-32)29-20(30-22(16)33)14-3-5-15(26)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,27,28,31)(H,29,30,33)
InChIKeySDRAOHNGYWZWSL-UHFFFAOYSA-N
XLogP3.58
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

[4-(cyclopropylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635765
(4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756752
(2-cyclopropyl-4-methoxy-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756737
[4-(2-methoxyethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756797
(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635454
[4-(2-fluorophenoxy)piperidin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635379
[6-(fluoromethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635798
[5-[cyclopropyl(methyl)amino]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 166756747
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 164938832
(3-fluoro-3-phenylazetidin-1-yl)-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138636016
[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 138665661
[4-(2-methoxyethyl)piperazin-1-yl]-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]methanone
CID 138635945

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 138635269) is 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1oc2ncnc(NC3(C)CC3)c2c1C(=O)N1CCc2c(nc(-c3ccc(F)cc3)[nH]c2=O)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SDRAOHNGYWZWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-13-18(19-21(31-25(2)8-9-25)27-12-28-23(19)35-13)24(34)32-10-7-16-17(11-32)29-20(30-22(16)33)14-3-5-15(26)6-4-14/h3-6,12H,7-11H2,1-2H3,(H,27,28,31)(H,29,30,33).
What are the key properties of 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 474.50 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidine-5-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 138635269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).