3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one

C22H22N4O3 — CID 169158006

IUPAC3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one
SMILESCCC(=O)N1N=C(c2c(C)c3cccnc3[nH]c2=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C22H22N4O3/c1-4-19(27)26-18(14-7-9-15(29-3)10-8-14)12-17(25-26)20-13(2)16-6-5-11-23-21(16)24-22(20)28/h5-11,18H,4,12H2,1-3H3,(H,23,24,28)
InChIKeyPSEJFYGGNVZXHX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.33
Rot. Bonds4

About 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one

3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one (PubChem CID 169158006) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one
PubChem CID169158006
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one
SMILESCCC(=O)N1N=C(c2c(C)c3cccnc3[nH]c2=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C22H22N4O3/c1-4-19(27)26-18(14-7-9-15(29-3)10-8-14)12-17(25-26)20-13(2)16-6-5-11-23-21(16)24-22(20)28/h5-11,18H,4,12H2,1-3H3,(H,23,24,28)
InChIKeyPSEJFYGGNVZXHX-UHFFFAOYSA-N
XLogP3.33
TPSA87.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
4-methyl-5-[(3S)-3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-7H-thieno[2,3-b]pyridin-6-one
CID 170142759
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
4-[5-[4-(4-bromophenyl)-2-oxo-1H-1,8-naphthyridin-3-yl]-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-3,3-difluoro-4-oxobutanoic acid
CID 174268535
5-[3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 135970333
7-chloro-4-methyl-3-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1H-quinolin-2-one
CID 169158003
3-[(3S)-2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-(4-methylphenyl)-1H-quinolin-2-one
CID 136915128
6-chloro-3-[2-(cyclopropanecarbonyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]-4-methyl-1H-quinolin-2-one
CID 169157845
5-[(3S)-3-(4-ethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-(2-methoxyphenyl)pyrimidine-2,4-dione
CID 136804945
6-chloro-4-methyl-3-[3-(4-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1H-1,5-naphthyridin-2-one
CID 169158001
1-[5-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 170788091
5-[3-(3,4-dimethoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 135970334

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one (CID 169158006) is 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one is CCC(=O)N1N=C(c2c(C)c3cccnc3[nH]c2=O)CC1c1ccc(OC)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one?
The InChIKey is PSEJFYGGNVZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-4-19(27)26-18(14-7-9-15(29-3)10-8-14)12-17(25-26)20-13(2)16-6-5-11-23-21(16)24-22(20)28/h5-11,18H,4,12H2,1-3H3,(H,23,24,28).
What are the key properties of 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one?
3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-4-methyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 169158006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).