2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C24H26FN5O2 — CID 92590944

IUPAC2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H26FN5O2/c1-3-29(4-2)16-22(31)30-14-11-21-20(15-30)24(32-19-7-5-18(25)6-8-19)28-23(27-21)17-9-12-26-13-10-17/h5-10,12-13H,3-4,11,14-16H2,1-2H3
InChIKeySLACIRZUMIUHBA-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.70
Rot. Bonds7

About 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 92590944) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID92590944
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H26FN5O2/c1-3-29(4-2)16-22(31)30-14-11-21-20(15-30)24(32-19-7-5-18(25)6-8-19)28-23(27-21)17-9-12-26-13-10-17/h5-10,12-13H,3-4,11,14-16H2,1-2H3
InChIKeySLACIRZUMIUHBA-UHFFFAOYSA-N
XLogP3.70
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 92590944) is 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CCN(CC)CC(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is SLACIRZUMIUHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-3-29(4-2)16-22(31)30-14-11-21-20(15-30)24(32-19-7-5-18(25)6-8-19)28-23(27-21)17-9-12-26-13-10-17/h5-10,12-13H,3-4,11,14-16H2,1-2H3.
What are the key properties of 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 435.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 92590944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).