N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C29H18F2N4O3S2 — CID 56668351

IUPACN-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)s1
InChIInChI=1S/C29H18F2N4O3S2/c1-16-4-11-24(40-16)21-14-39-28-25(21)27(32-15-33-28)38-23-10-7-18(13-22(23)31)34-26(36)20-3-2-12-35(29(20)37)19-8-5-17(30)6-9-19/h2-15H,1H3,(H,34,36)
InChIKeyGWHMDUIJNXXDEB-UHFFFAOYSA-N
MW572.62 g/mol
LogP7.20
Rot. Bonds6

About N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 56668351) has the molecular formula C29H18F2N4O3S2 and a molecular weight of 572.62 g/mol. Its IUPAC name is N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
PubChem CID56668351
Molecular FormulaC29H18F2N4O3S2
Molecular Weight572.62 g/mol
Exact Mass572.08
IUPAC NameN-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)s1
InChIInChI=1S/C29H18F2N4O3S2/c1-16-4-11-24(40-16)21-14-39-28-25(21)27(32-15-33-28)38-23-10-7-18(13-22(23)31)34-26(36)20-3-2-12-35(29(20)37)19-8-5-17(30)6-9-19/h2-15H,1H3,(H,34,36)
InChIKeyGWHMDUIJNXXDEB-UHFFFAOYSA-N
XLogP7.20
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.62
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 56661502
CID 56668352
CID 56668352
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CID 145965371

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 56668351) is N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is Cc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4F)c23)s1.
What is the InChIKey of N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is GWHMDUIJNXXDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F2N4O3S2/c1-16-4-11-24(40-16)21-14-39-28-25(21)27(32-15-33-28)38-23-10-7-18(13-22(23)31)34-26(36)20-3-2-12-35(29(20)37)19-8-5-17(30)6-9-19/h2-15H,1H3,(H,34,36).
What are the key properties of N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 572.62 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56668351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).