2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C25H18F3N5O2S — CID 18456584

IUPAC2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)cc3)c2s1
InChIInChI=1S/C25H18F3N5O2S/c1-33-11-10-30-24(33)20-13-18-23(36-20)19(8-9-29-18)35-17-5-2-15(3-6-17)12-22(34)32-21-7-4-16(14-31-21)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,31,32,34)
InChIKeyMUZYQLSHCXKKNS-UHFFFAOYSA-N
MW509.51 g/mol
LogP6.08
Rot. Bonds6

About 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 18456584) has the molecular formula C25H18F3N5O2S and a molecular weight of 509.51 g/mol. Its IUPAC name is 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID18456584
Molecular FormulaC25H18F3N5O2S
Molecular Weight509.51 g/mol
Exact Mass509.11
IUPAC Name2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)cc3)c2s1
InChIInChI=1S/C25H18F3N5O2S/c1-33-11-10-30-24(33)20-13-18-23(36-20)19(8-9-29-18)35-17-5-2-15(3-6-17)12-22(34)32-21-7-4-16(14-31-21)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,31,32,34)
InChIKeyMUZYQLSHCXKKNS-UHFFFAOYSA-N
XLogP6.08
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 18456584) is 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1ccnc1-c1cc2nccc(Oc3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)cc3)c2s1.
What is the InChIKey of 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is MUZYQLSHCXKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S/c1-33-11-10-30-24(33)20-13-18-23(36-20)19(8-9-29-18)35-17-5-2-15(3-6-17)12-22(34)32-21-7-4-16(14-31-21)25(26,27)28/h2-11,13-14H,12H2,1H3,(H,31,32,34).
What are the key properties of 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 509.51 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 18456584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).