3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

C19H23FN4O — CID 118020985

IUPAC3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)CCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H23FN4O/c1-13(2)22-19-21-11-15-9-10-24(12-17(15)23-19)18(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,11,13H,5,8-10,12H2,1-2H3,(H,21,22,23)
InChIKeyNSIZLXRHHBZUTI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.95
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (PubChem CID 118020985) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
PubChem CID118020985
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCC(C)Nc1ncc2c(n1)CN(C(=O)CCc1ccc(F)cc1)CC2
InChIInChI=1S/C19H23FN4O/c1-13(2)22-19-21-11-15-9-10-24(12-17(15)23-19)18(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,11,13H,5,8-10,12H2,1-2H3,(H,21,22,23)
InChIKeyNSIZLXRHHBZUTI-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (CID 118020985) is 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is CC(C)Nc1ncc2c(n1)CN(C(=O)CCc1ccc(F)cc1)CC2.
What is the InChIKey of 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The InChIKey is NSIZLXRHHBZUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13(2)22-19-21-11-15-9-10-24(12-17(15)23-19)18(25)8-5-14-3-6-16(20)7-4-14/h3-4,6-7,11,13H,5,8-10,12H2,1-2H3,(H,21,22,23).
What are the key properties of 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one has a molecular weight of 342.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is sourced from PubChem (CID 118020985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).