2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

C29H30F3N5O — CID 25065373

IUPAC2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(c1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C29H30F3N5O/c1-2-23(20-11-14-33-15-12-20)24-10-7-21(17-25(24)29(30,31)32)36-27(38)16-19-5-8-22(9-6-19)37-18-35-26-4-3-13-34-28(26)37/h3-10,13,17-18,20,23,33H,2,11-12,14-16H2,1H3,(H,36,38)
InChIKeyASUKPRGPYJFJBO-UHFFFAOYSA-N
MW521.59 g/mol
LogP6.11
Rot. Bonds7

About 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide

2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25065373) has the molecular formula C29H30F3N5O and a molecular weight of 521.59 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25065373
Molecular FormulaC29H30F3N5O
Molecular Weight521.59 g/mol
Exact Mass521.24
IUPAC Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(c1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2)cc1C(F)(F)F)C1CCNCC1
InChIInChI=1S/C29H30F3N5O/c1-2-23(20-11-14-33-15-12-20)24-10-7-21(17-25(24)29(30,31)32)36-27(38)16-19-5-8-22(9-6-19)37-18-35-26-4-3-13-34-28(26)37/h3-10,13,17-18,20,23,33H,2,11-12,14-16H2,1H3,(H,36,38)
InChIKeyASUKPRGPYJFJBO-UHFFFAOYSA-N
XLogP6.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.59
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide (CID 25065373) is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is CCC(c1ccc(NC(=O)Cc2ccc(-n3cnc4cccnc43)cc2)cc1C(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ASUKPRGPYJFJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O/c1-2-23(20-11-14-33-15-12-20)24-10-7-21(17-25(24)29(30,31)32)36-27(38)16-19-5-8-22(9-6-19)37-18-35-26-4-3-13-34-28(26)37/h3-10,13,17-18,20,23,33H,2,11-12,14-16H2,1H3,(H,36,38).
What are the key properties of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 521.59 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-(1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25065373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).