1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine

C24H28FN5O — CID 145022552

IUPAC1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
SMILESC=C(N)c1cc(-c2ccc(CC)cc2F)c2c(n1)CN(Cc1nc(C(C)C)no1)CC2
InChIInChI=1S/C24H28FN5O/c1-5-16-6-7-17(20(25)10-16)19-11-21(15(4)26)27-22-12-30(9-8-18(19)22)13-23-28-24(14(2)3)29-31-23/h6-7,10-11,14H,4-5,8-9,12-13,26H2,1-3H3
InChIKeyHZOPDPDQTHRLLM-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.44
Rot. Bonds6

About 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine

1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine (PubChem CID 145022552) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine.

Molecular Properties

Compound Name1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
PubChem CID145022552
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
SMILESC=C(N)c1cc(-c2ccc(CC)cc2F)c2c(n1)CN(Cc1nc(C(C)C)no1)CC2
InChIInChI=1S/C24H28FN5O/c1-5-16-6-7-17(20(25)10-16)19-11-21(15(4)26)27-22-12-30(9-8-18(19)22)13-23-28-24(14(2)3)29-31-23/h6-7,10-11,14H,4-5,8-9,12-13,26H2,1-3H3
InChIKeyHZOPDPDQTHRLLM-UHFFFAOYSA-N
XLogP4.44
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine with MolForge

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Related Compounds

4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
4-[[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 43048630
5-(4-ethyl-2-fluorophenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-7-carboxamide
CID 149237443
4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
(4S)-5,8-dimethoxy-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 94022498
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
3-fluoro-4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]benzonitrile
CID 51107150
(1,5-dimethylpyrrol-2-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56821294
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine?
The IUPAC name of 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine (CID 145022552) is 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine.
What is the SMILES notation for 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine?
The canonical SMILES for 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine is C=C(N)c1cc(-c2ccc(CC)cc2F)c2c(n1)CN(Cc1nc(C(C)C)no1)CC2.
What is the InChIKey of 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine?
The InChIKey is HZOPDPDQTHRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-5-16-6-7-17(20(25)10-16)19-11-21(15(4)26)27-22-12-30(9-8-18(19)22)13-23-28-24(14(2)3)29-31-23/h6-7,10-11,14H,4-5,8-9,12-13,26H2,1-3H3.
What are the key properties of 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine?
1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine has a molecular weight of 421.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethyl-2-fluorophenyl)-7-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine is sourced from PubChem (CID 145022552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).