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

C17H18FN3O2 — CID 53147021

IUPAC1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H18FN3O2/c1-23-9-7-16(22)21-8-6-15-13(11-21)10-19-17(20-15)12-2-4-14(18)5-3-12/h2-5,10H,6-9,11H2,1H3
InChIKeyDKOIAXASJKVMLV-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.20
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one (PubChem CID 53147021) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one
PubChem CID53147021
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H18FN3O2/c1-23-9-7-16(22)21-8-6-15-13(11-21)10-19-17(20-15)12-2-4-14(18)5-3-12/h2-5,10H,6-9,11H2,1H3
InChIKeyDKOIAXASJKVMLV-UHFFFAOYSA-N
XLogP2.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
N-[(1R)-1-(3,4-difluorophenyl)propyl]-2-[[(2S)-1-hydroxypropan-2-yl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645250
2-(Dimethylamino)-8-[(4-fluorophenyl)methyl]-6-methylpteridin-7-one
CID 3233220
8-[(4-Fluorophenyl)methyl]-6-methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3233255
8-[(4-Fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3235236
N-benzyl-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645258
N-[(4-fluorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645259
N-[(3-fluorophenyl)methyl]-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 90645261
N-[2-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 127042857
N-[3-[[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]propyl]acetamide
CID 145950968
1-[4-[benzyl(methyl)amino]-2-(5-pyrimidin-5-yl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutan-1-one
CID 50942846
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 118030074

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one (CID 53147021) is 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one?
The InChIKey is DKOIAXASJKVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-23-9-7-16(22)21-8-6-15-13(11-21)10-19-17(20-15)12-2-4-14(18)5-3-12/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one?
1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one has a molecular weight of 315.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 53147021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).