6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one

C20H19N5O2 — CID 163352343

IUPAC6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C20H19N5O2/c26-18-9-17(13-3-4-13)22-12-25(18)11-19(27)24-7-5-16-15(10-24)8-14-2-1-6-21-20(14)23-16/h1-2,6,8-9,12-13H,3-5,7,10-11H2
InChIKeyHWFJACBZFXVVSD-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.65
Rot. Bonds3

About 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 163352343) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID163352343
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCc2nc3ncccc3cc2C1
InChIInChI=1S/C20H19N5O2/c26-18-9-17(13-3-4-13)22-12-25(18)11-19(27)24-7-5-16-15(10-24)8-14-2-1-6-21-20(14)23-16/h1-2,6,8-9,12-13H,3-5,7,10-11H2
InChIKeyHWFJACBZFXVVSD-UHFFFAOYSA-N
XLogP1.65
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163354439
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-(4-fluorophenoxy)ethanone
CID 163350693
5-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carbonyl)pyrrolidin-2-one
CID 163351885
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 163344965
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 139028946
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethoxyphenyl)methanone
CID 163350715
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466
8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 163348712
3-[2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 146080150

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one (CID 163352343) is 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCc2nc3ncccc3cc2C1.
What is the InChIKey of 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is HWFJACBZFXVVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18-9-17(13-3-4-13)22-12-25(18)11-19(27)24-7-5-16-15(10-24)8-14-2-1-6-21-20(14)23-16/h1-2,6,8-9,12-13H,3-5,7,10-11H2.
What are the key properties of 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 361.41 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 163352343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).