7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

C49H30N10O3S — CID 155170911

IUPAC7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ccc[nH]4)cc3cc2-c2ccc3ncc(-c4ncc(-c5nc6[nH]c(=O)c(-c7ccn[nH]7)cc6cc5-c5ccc6ncccc6c5)s4)cc3c2)o1
InChIInChI=1S/C49H30N10O3S/c1-25-6-11-41(62-25)43-33(19-30-21-35(39-5-3-14-51-39)47(60)57-45(30)55-43)27-8-10-38-29(17-27)18-32(23-52-38)49-53-24-42(63-49)44-34(26-7-9-37-28(16-26)4-2-13-50-37)20-31-22-36(40-12-15-54-59-40)48(61)58-46(31)56-44/h2-24,51H,1H3,(H,54,59)(H,55,57,60)(H,56,58,61)
InChIKeyQFYUPSAEFVWWGN-UHFFFAOYSA-N
MW838.91 g/mol
LogP10.33
Rot. Bonds7

About 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one

7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (PubChem CID 155170911) has the molecular formula C49H30N10O3S and a molecular weight of 838.91 g/mol. Its IUPAC name is 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
PubChem CID155170911
Molecular FormulaC49H30N10O3S
Molecular Weight838.91 g/mol
Exact Mass838.22
IUPAC Name7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
SMILESCc1ccc(-c2nc3[nH]c(=O)c(-c4ccc[nH]4)cc3cc2-c2ccc3ncc(-c4ncc(-c5nc6[nH]c(=O)c(-c7ccn[nH]7)cc6cc5-c5ccc6ncccc6c5)s4)cc3c2)o1
InChIInChI=1S/C49H30N10O3S/c1-25-6-11-41(62-25)43-33(19-30-21-35(39-5-3-14-51-39)47(60)57-45(30)55-43)27-8-10-38-29(17-27)18-32(23-52-38)49-53-24-42(63-49)44-34(26-7-9-37-28(16-26)4-2-13-50-37)20-31-22-36(40-12-15-54-59-40)48(61)58-46(31)56-44/h2-24,51H,1H3,(H,54,59)(H,55,57,60)(H,56,58,61)
InChIKeyQFYUPSAEFVWWGN-UHFFFAOYSA-N
XLogP10.33
TPSA187.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.91
LogP ≤ 510.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one (CID 155170911) is 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is Cc1ccc(-c2nc3[nH]c(=O)c(-c4ccc[nH]4)cc3cc2-c2ccc3ncc(-c4ncc(-c5nc6[nH]c(=O)c(-c7ccn[nH]7)cc6cc5-c5ccc6ncccc6c5)s4)cc3c2)o1.
What is the InChIKey of 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
The InChIKey is QFYUPSAEFVWWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N10O3S/c1-25-6-11-41(62-25)43-33(19-30-21-35(39-5-3-14-51-39)47(60)57-45(30)55-43)27-8-10-38-29(17-27)18-32(23-52-38)49-53-24-42(63-49)44-34(26-7-9-37-28(16-26)4-2-13-50-37)20-31-22-36(40-12-15-54-59-40)48(61)58-46(31)56-44/h2-24,51H,1H3,(H,54,59)(H,55,57,60)(H,56,58,61).
What are the key properties of 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one?
7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one has a molecular weight of 838.91 g/mol, XLogP of 10.33, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[6-[2-(5-methylfuran-2-yl)-7-oxo-6-(1H-pyrrol-2-yl)-8H-1,8-naphthyridin-3-yl]quinolin-3-yl]-1,3-thiazol-5-yl]-3-(1H-pyrazol-5-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 155170911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).