4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide

C24H14F5N5O — CID 71767187

IUPAC4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3ncn(Cc4c(F)cc5ncccc5c4F)c3n2)cc1C(F)(F)F
InChIInChI=1S/C24H14F5N5O/c25-17-9-20-14(2-1-7-31-20)21(26)15(17)10-34-11-32-19-6-5-18(33-23(19)34)12-3-4-13(22(30)35)16(8-12)24(27,28)29/h1-9,11H,10H2,(H2,30,35)
InChIKeyNAQNOOPPCTUYMT-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.09
Rot. Bonds4

About 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide

4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 71767187) has the molecular formula C24H14F5N5O and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID71767187
Molecular FormulaC24H14F5N5O
Molecular Weight483.40 g/mol
Exact Mass483.11
IUPAC Name4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3ncn(Cc4c(F)cc5ncccc5c4F)c3n2)cc1C(F)(F)F
InChIInChI=1S/C24H14F5N5O/c25-17-9-20-14(2-1-7-31-20)21(26)15(17)10-34-11-32-19-6-5-18(33-23(19)34)12-3-4-13(22(30)35)16(8-12)24(27,28)29/h1-9,11H,10H2,(H2,30,35)
InChIKeyNAQNOOPPCTUYMT-UHFFFAOYSA-N
XLogP5.09
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide (CID 71767187) is 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2ccc3ncn(Cc4c(F)cc5ncccc5c4F)c3n2)cc1C(F)(F)F.
What is the InChIKey of 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is NAQNOOPPCTUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5N5O/c25-17-9-20-14(2-1-7-31-20)21(26)15(17)10-34-11-32-19-6-5-18(33-23(19)34)12-3-4-13(22(30)35)16(8-12)24(27,28)29/h1-9,11H,10H2,(H2,30,35).
What are the key properties of 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide?
4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 483.40 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5,7-difluoroquinolin-6-yl)methyl]imidazo[4,5-b]pyridin-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71767187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).