N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide

C25H22F3N5O — CID 78322554

IUPACN-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)19-5-1-17(2-6-19)24(34)31-20-7-3-16(4-8-20)22-32-21-13-18(14-30-23(21)33-22)15-9-11-29-12-10-15/h1-8,13-15,29H,9-12H2,(H,31,34)(H,30,32,33)
InChIKeyFSIPJCHKGBUZDB-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.36
Rot. Bonds4

About N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide

N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 78322554) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID78322554
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC NameN-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H22F3N5O/c26-25(27,28)19-5-1-17(2-6-19)24(34)31-20-7-3-16(4-8-20)22-32-21-13-18(14-30-23(21)33-22)15-9-11-29-12-10-15/h1-8,13-15,29H,9-12H2,(H,31,34)(H,30,32,33)
InChIKeyFSIPJCHKGBUZDB-UHFFFAOYSA-N
XLogP5.36
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide (CID 78322554) is N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2nc3ncc(C4CCNCC4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is FSIPJCHKGBUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c26-25(27,28)19-5-1-17(2-6-19)24(34)31-20-7-3-16(4-8-20)22-32-21-13-18(14-30-23(21)33-22)15-9-11-29-12-10-15/h1-8,13-15,29H,9-12H2,(H,31,34)(H,30,32,33).
What are the key properties of N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide?
N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 465.48 g/mol, XLogP of 5.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 78322554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).