2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide

C24H16F2N6O3S — CID 56661467

IUPAC2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2s1
InChIInChI=1S/C24H16F2N6O3S/c1-32-10-9-28-22(32)18-11-16-21(36-18)17(7-8-27-16)35-13-5-6-19(29-12-13)30-24(34)31-23(33)20-14(25)3-2-4-15(20)26/h2-12H,1H3,(H2,29,30,31,33,34)
InChIKeyPBGUBKKIKWALBU-UHFFFAOYSA-N
MW506.49 g/mol
LogP5.12
Rot. Bonds5

About 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide

2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide (PubChem CID 56661467) has the molecular formula C24H16F2N6O3S and a molecular weight of 506.49 g/mol. Its IUPAC name is 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide
PubChem CID56661467
Molecular FormulaC24H16F2N6O3S
Molecular Weight506.49 g/mol
Exact Mass506.10
IUPAC Name2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide
SMILESCn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2s1
InChIInChI=1S/C24H16F2N6O3S/c1-32-10-9-28-22(32)18-11-16-21(36-18)17(7-8-27-16)35-13-5-6-19(29-12-13)30-24(34)31-23(33)20-14(25)3-2-4-15(20)26/h2-12H,1H3,(H2,29,30,31,33,34)
InChIKeyPBGUBKKIKWALBU-UHFFFAOYSA-N
XLogP5.12
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide (CID 56661467) is 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide is Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4c(F)cccc4F)nc3)c2s1.
What is the InChIKey of 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide?
The InChIKey is PBGUBKKIKWALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O3S/c1-32-10-9-28-22(32)18-11-16-21(36-18)17(7-8-27-16)35-13-5-6-19(29-12-13)30-24(34)31-23(33)20-14(25)3-2-4-15(20)26/h2-12H,1H3,(H2,29,30,31,33,34).
What are the key properties of 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide?
2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide has a molecular weight of 506.49 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[5-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-2-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 56661467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).