(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one

C24H32FN5O2 — CID 95832528

IUPAC(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CCN(C)CC3)nc2NC)C1
InChIInChI=1S/C24H32FN5O2/c1-4-20(32-21-8-6-5-7-18(21)25)24(31)30-14-11-17-19(15-30)27-22(28-23(17)26-2)16-9-12-29(3)13-10-16/h5-8,16,20H,4,9-15H2,1-3H3,(H,26,27,28)/t20-/m1/s1
InChIKeyUILKFUKSFFVDDE-HXUWFJFHSA-N
MW441.55 g/mol
LogP3.21
Rot. Bonds6

About (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one

(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one (PubChem CID 95832528) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
PubChem CID95832528
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one
SMILESCC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CCN(C)CC3)nc2NC)C1
InChIInChI=1S/C24H32FN5O2/c1-4-20(32-21-8-6-5-7-18(21)25)24(31)30-14-11-17-19(15-30)27-22(28-23(17)26-2)16-9-12-29(3)13-10-16/h5-8,16,20H,4,9-15H2,1-3H3,(H,26,27,28)/t20-/m1/s1
InChIKeyUILKFUKSFFVDDE-HXUWFJFHSA-N
XLogP3.21
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one with MolForge

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Related Compounds

1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(2-fluorophenoxy)ethanone
CID 92625542
2-(2-fluorophenoxy)-1-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 110241789
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92625516
2-(3-methoxyphenyl)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92624926
2-(2-fluorophenoxy)-1-(2-piperidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butan-1-one
CID 110240574
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
2-[(3R)-1-[(2R)-2-(2-fluorophenoxy)butanoyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892024
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one?
The IUPAC name of (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one (CID 95832528) is (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one.
What is the SMILES notation for (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one?
The canonical SMILES for (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one is CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2c(nc(C3CCN(C)CC3)nc2NC)C1.
What is the InChIKey of (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one?
The InChIKey is UILKFUKSFFVDDE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-4-20(32-21-8-6-5-7-18(21)25)24(31)30-14-11-17-19(15-30)27-22(28-23(17)26-2)16-9-12-29(3)13-10-16/h5-8,16,20H,4,9-15H2,1-3H3,(H,26,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one?
(2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one has a molecular weight of 441.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenoxy)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butan-1-one is sourced from PubChem (CID 95832528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).