7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid

C34H23ClF3N5O4S — CID 164516093

IUPAC7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
SMILESCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(C(F)(F)F)c(-c4ccncc4C)c(C#N)c3c2=O)c2scc(C(=O)O)c2n1
InChIInChI=1S/C34H23ClF3N5O4S/c1-16-14-40-7-6-20(16)28-23(13-39)29-26(12-25(28)34(36,37)38)42-18(3)43(32(29)44)8-9-47-27-5-4-19(35)11-21(27)22-10-17(2)41-30-24(33(45)46)15-48-31(22)30/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,45,46)
InChIKeyPWVSZLPHJXEDPX-UHFFFAOYSA-N
MW690.10 g/mol
LogP7.98
Rot. Bonds7

About 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid

7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid (PubChem CID 164516093) has the molecular formula C34H23ClF3N5O4S and a molecular weight of 690.10 g/mol. Its IUPAC name is 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
PubChem CID164516093
Molecular FormulaC34H23ClF3N5O4S
Molecular Weight690.10 g/mol
Exact Mass689.11
IUPAC Name7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
SMILESCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(C(F)(F)F)c(-c4ccncc4C)c(C#N)c3c2=O)c2scc(C(=O)O)c2n1
InChIInChI=1S/C34H23ClF3N5O4S/c1-16-14-40-7-6-20(16)28-23(13-39)29-26(12-25(28)34(36,37)38)42-18(3)43(32(29)44)8-9-47-27-5-4-19(35)11-21(27)22-10-17(2)41-30-24(33(45)46)15-48-31(22)30/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,45,46)
InChIKeyPWVSZLPHJXEDPX-UHFFFAOYSA-N
XLogP7.98
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.10
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

7-[5-chloro-2-[2-[5-cyano-6-(3-fluoro-4-pyridinyl)-2-methyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515577
7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(5-methyl-3-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515983
7-[5-chloro-2-[2-[5-cyano-6-(1,4-dimethylpyrazol-3-yl)-2-methyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516215
7-[5-chloro-2-[2-[5-cyano-6-(4,6-dimethyl-2-pyridinyl)-2-methyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516097
7-[5-chloro-2-[2-[5-cyano-6-(4-fluoro-2-pyridinyl)-2-methyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515984
7-[5-chloro-2-[2-[5-cyano-6-imidazol-1-yl-2-methyl-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515848
7-[5-chloro-2-[2-[5-cyano-2-methyl-4-oxo-6-pyrazol-1-yl-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515849
7-[5-chloro-2-[2-[5-cyano-2-methyl-4-oxo-6-thiomorpholin-4-yl-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516180
7-[5-chloro-2-[2-[6-cyano-2-methyl-4-oxo-7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164515992
7-[5-chloro-2-[2-(5-cyano-2,7-dimethyl-4,6-dioxopyrido[3,4-d]pyrimidin-3-yl)ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516193
7-[5-chloro-2-[2-[5-cyano-6-(cyclopenten-1-yl)-7-fluoro-2-methyl-4-oxoquinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516011
7-[5-chloro-2-[2-[5-cyano-6-(5-fluoro-2-methyl-3-pyridinyl)-2-methyl-4-oxopyrido[3,4-d]pyrimidin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid
CID 164516237

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid (CID 164516093) is 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid is Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(C(F)(F)F)c(-c4ccncc4C)c(C#N)c3c2=O)c2scc(C(=O)O)c2n1.
What is the InChIKey of 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is PWVSZLPHJXEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClF3N5O4S/c1-16-14-40-7-6-20(16)28-23(13-39)29-26(12-25(28)34(36,37)38)42-18(3)43(32(29)44)8-9-47-27-5-4-19(35)11-21(27)22-10-17(2)41-30-24(33(45)46)15-48-31(22)30/h4-7,10-12,14-15H,8-9H2,1-3H3,(H,45,46).
What are the key properties of 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid?
7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 690.10 g/mol, XLogP of 7.98, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-[2-[5-cyano-2-methyl-6-(3-methyl-4-pyridinyl)-4-oxo-7-(trifluoromethyl)quinazolin-3-yl]ethoxy]phenyl]-5-methylthieno[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 164516093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).