3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

C30H26N4O4 — CID 46934356

IUPAC3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)CC2c2ccccc2OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C30H26N4O4/c1-4-33-17-22(28(35)21-14-13-18(2)31-29(21)33)30(36)34-24(20-10-6-8-12-26(20)37-3)16-23(32-34)27-15-19-9-5-7-11-25(19)38-27/h5-15,17,24H,4,16H2,1-3H3
InChIKeyCECBWJZENVPUOZ-UHFFFAOYSA-N
MW506.56 g/mol
LogP5.47
Rot. Bonds5

About 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (PubChem CID 46934356) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
PubChem CID46934356
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Name3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)CC2c2ccccc2OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C30H26N4O4/c1-4-33-17-22(28(35)21-14-13-18(2)31-29(21)33)30(36)34-24(20-10-6-8-12-26(20)37-3)16-23(32-34)27-15-19-9-5-7-11-25(19)38-27/h5-15,17,24H,4,16H2,1-3H3
InChIKeyCECBWJZENVPUOZ-UHFFFAOYSA-N
XLogP5.47
TPSA89.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one with MolForge

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Related Compounds

3-[5-(1-benzofuran-2-yl)-3-[(E)-2-phenylethenyl]-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 46934657
[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 26918439
N-(2-methoxyphenyl)-2-[7-methyl-3-(morpholine-4-carbonyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 53087179
(2-methoxyphenyl)-[(3R)-3-(2-methoxyphenyl)-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 99801302
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
3-(4-cyclopropyl-2-phenylpiperazine-1-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 90566827
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 43811695
2-(2-chlorophenoxy)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5164855
1-ethyl-7-methyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90578183
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one (CID 46934356) is 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)CC2c2ccccc2OC)c(=O)c2ccc(C)nc21.
What is the InChIKey of 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is CECBWJZENVPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-4-33-17-22(28(35)21-14-13-18(2)31-29(21)33)30(36)34-24(20-10-6-8-12-26(20)37-3)16-23(32-34)27-15-19-9-5-7-11-25(19)38-27/h5-15,17,24H,4,16H2,1-3H3.
What are the key properties of 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one?
3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 506.56 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazole-2-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 46934356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).