3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

C45H34N8O4 — CID 159373885

IUPAC3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESCOc1ccc(-n2c(=O)c3c(Cc4ccccc4)[nH]nc3c3cccnc32)cc1.O=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1ccc(O)cc1
InChIInChI=1S/C23H18N4O2.C22H16N4O2/c1-29-17-11-9-16(10-12-17)27-22-18(8-5-13-24-22)21-20(23(27)28)19(25-26-21)14-15-6-3-2-4-7-15;27-16-10-8-15(9-11-16)26-21-17(7-4-12-23-21)20-19(22(26)28)18(24-25-20)13-14-5-2-1-3-6-14/h2-13H,14H2,1H3,(H,25,26);1-12,27H,13H2,(H,24,25)
InChIKeyLKBLXGVZTPZOSX-UHFFFAOYSA-N
MW750.82 g/mol
LogP7.42
Rot. Bonds7

About 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one

3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (PubChem CID 159373885) has the molecular formula C45H34N8O4 and a molecular weight of 750.82 g/mol. Its IUPAC name is 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
PubChem CID159373885
Molecular FormulaC45H34N8O4
Molecular Weight750.82 g/mol
Exact Mass750.27
IUPAC Name3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
SMILESCOc1ccc(-n2c(=O)c3c(Cc4ccccc4)[nH]nc3c3cccnc32)cc1.O=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1ccc(O)cc1
InChIInChI=1S/C23H18N4O2.C22H16N4O2/c1-29-17-11-9-16(10-12-17)27-22-18(8-5-13-24-22)21-20(23(27)28)19(25-26-21)14-15-6-3-2-4-7-15;27-16-10-8-15(9-11-16)26-21-17(7-4-12-23-21)20-19(22(26)28)18(24-25-20)13-14-5-2-1-3-6-14/h2-13H,14H2,1H3,(H,25,26);1-12,27H,13H2,(H,24,25)
InChIKeyLKBLXGVZTPZOSX-UHFFFAOYSA-N
XLogP7.42
TPSA156.60 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.82
LogP ≤ 57.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one with MolForge

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Related Compounds

3-benzyl-5-(3-fluorophenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396561
3-[(2-aminophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67396078
3-[(2-nitrophenyl)methyl]-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 67395805
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 68946444
4-hydroxy-3-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676192
2-benzyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 1130557
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
4-hydroxy-3-[2-(3-methoxyphenyl)acetyl]-1-phenyl-1,8-naphthyridin-2-one
CID 54676176
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 160984781
3-[(2-nitrophenyl)methyl]-5-[3-(trifluoromethoxy)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 68950594
1-(4-methoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 15652997

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The IUPAC name of 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one (CID 159373885) is 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The canonical SMILES for 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is COc1ccc(-n2c(=O)c3c(Cc4ccccc4)[nH]nc3c3cccnc32)cc1.O=c1c2c(Cc3ccccc3)[nH]nc2c2cccnc2n1-c1ccc(O)cc1.
What is the InChIKey of 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
The InChIKey is LKBLXGVZTPZOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2.C22H16N4O2/c1-29-17-11-9-16(10-12-17)27-22-18(8-5-13-24-22)21-20(23(27)28)19(25-26-21)14-15-6-3-2-4-7-15;27-16-10-8-15(9-11-16)26-21-17(7-4-12-23-21)20-19(22(26)28)18(24-25-20)13-14-5-2-1-3-6-14/h2-13H,14H2,1H3,(H,25,26);1-12,27H,13H2,(H,24,25).
What are the key properties of 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one?
3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one has a molecular weight of 750.82 g/mol, XLogP of 7.42, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-hydroxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one;3-benzyl-5-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 159373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).