5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide

C24H24F2N6O3S — CID 59525692

IUPAC5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1cn(CCO)nn1
InChIInChI=1S/C24H24F2N6O3S/c1-12-14(18-11-32(6-7-33)31-30-18)4-5-20(28-12)29-23-15(22(27)34)10-19(36-23)21-16(25)8-13(9-17(21)26)24(2,3)35/h4-5,8-11,33,35H,6-7H2,1-3H3,(H2,27,34)(H,28,29)
InChIKeyMUCOHBWRFFHUJJ-UHFFFAOYSA-N
MW514.56 g/mol
LogP3.72
Rot. Bonds8

About 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59525692) has the molecular formula C24H24F2N6O3S and a molecular weight of 514.56 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59525692
Molecular FormulaC24H24F2N6O3S
Molecular Weight514.56 g/mol
Exact Mass514.16
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1cn(CCO)nn1
InChIInChI=1S/C24H24F2N6O3S/c1-12-14(18-11-32(6-7-33)31-30-18)4-5-20(28-12)29-23-15(22(27)34)10-19(36-23)21-16(25)8-13(9-17(21)26)24(2,3)35/h4-5,8-11,33,35H,6-7H2,1-3H3,(H2,27,34)(H,28,29)
InChIKeyMUCOHBWRFFHUJJ-UHFFFAOYSA-N
XLogP3.72
TPSA139.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.56
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59525692) is 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)cc2C(N)=O)ccc1-c1cn(CCO)nn1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is MUCOHBWRFFHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N6O3S/c1-12-14(18-11-32(6-7-33)31-30-18)4-5-20(28-12)29-23-15(22(27)34)10-19(36-23)21-16(25)8-13(9-17(21)26)24(2,3)35/h4-5,8-11,33,35H,6-7H2,1-3H3,(H2,27,34)(H,28,29).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 3.72, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-[1-(2-hydroxyethyl)triazol-4-yl]-6-methyl-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59525692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).