N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide

C26H22FN5O2S — CID 11248778

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)c(F)c2)c1
InChIInChI=1S/C26H22FN5O2S/c1-15-10-16(2)30-23(11-15)31-24(33)13-17-4-5-20(18(27)12-17)34-21-6-7-28-19-14-22(35-25(19)21)26-29-8-9-32(26)3/h4-12,14H,13H2,1-3H3,(H,30,31,33)
InChIKeyNVAACJCHXMKZHS-UHFFFAOYSA-N
MW487.56 g/mol
LogP5.82
Rot. Bonds6

About N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide

N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide (PubChem CID 11248778) has the molecular formula C26H22FN5O2S and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide
PubChem CID11248778
Molecular FormulaC26H22FN5O2S
Molecular Weight487.56 g/mol
Exact Mass487.15
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)c(F)c2)c1
InChIInChI=1S/C26H22FN5O2S/c1-15-10-16(2)30-23(11-15)31-24(33)13-17-4-5-20(18(27)12-17)34-21-6-7-28-19-14-22(35-25(19)21)26-29-8-9-32(26)3/h4-12,14H,13H2,1-3H3,(H,30,31,33)
InChIKeyNVAACJCHXMKZHS-UHFFFAOYSA-N
XLogP5.82
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide (CID 11248778) is N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide is Cc1cc(C)nc(NC(=O)Cc2ccc(Oc3ccnc4cc(-c5nccn5C)sc34)c(F)c2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide?
The InChIKey is NVAACJCHXMKZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2S/c1-15-10-16(2)30-23(11-15)31-24(33)13-17-4-5-20(18(27)12-17)34-21-6-7-28-19-14-22(35-25(19)21)26-29-8-9-32(26)3/h4-12,14H,13H2,1-3H3,(H,30,31,33).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide?
N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 5.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]acetamide is sourced from PubChem (CID 11248778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).