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

C17H18FN3O2 — CID 53147016

IUPAC2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H18FN3O2/c1-2-23-11-16(22)21-8-7-15-13(10-21)9-19-17(20-15)12-3-5-14(18)6-4-12/h3-6,9H,2,7-8,10-11H2,1H3
InChIKeyBWDVKTICYIUDFU-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.20
Rot. Bonds4

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

2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 53147016) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID53147016
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCCOCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1
InChIInChI=1S/C17H18FN3O2/c1-2-23-11-16(22)21-8-7-15-13(10-21)9-19-17(20-15)12-3-5-14(18)6-4-12/h3-6,9H,2,7-8,10-11H2,1H3
InChIKeyBWDVKTICYIUDFU-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

4-(4-Fluorophenyl)-5-(2-morpholinoethyl)-2-pyrimidinamine
CID 3578049
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
N-[4-[5-fluoro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
CID 24878018
1-Ethyl-3-[4-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 49764911
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 53380858
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
6-Methyl-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
CID 3233194
8-[(4-Fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3235236
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyridin-2-yl-acetamide
CID 14330359
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
7-methyl-6-[5-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667628

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 53147016) is 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CCOCC(=O)N1CCc2nc(-c3ccc(F)cc3)ncc2C1.
What is the InChIKey of 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is BWDVKTICYIUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-23-11-16(22)21-8-7-15-13(10-21)9-19-17(20-15)12-3-5-14(18)6-4-12/h3-6,9H,2,7-8,10-11H2,1H3.
What are the key properties of 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone 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 2-ethoxy-1-[2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 53147016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).