2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

C29H29ClF3N5O — CID 25065370

IUPAC2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C29H29ClF3N5O/c1-2-37-12-9-19(10-13-37)14-20-5-7-22(16-24(20)29(31,32)33)36-27(39)15-21-6-8-23(17-25(21)30)38-18-35-26-4-3-11-34-28(26)38/h3-8,11,16-19H,2,9-10,12-15H2,1H3,(H,36,39)
InChIKeyUVFLWONAIKXRAC-UHFFFAOYSA-N
MW556.03 g/mol
LogP6.55
Rot. Bonds7

About 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25065370) has the molecular formula C29H29ClF3N5O and a molecular weight of 556.03 g/mol. Its IUPAC name is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25065370
Molecular FormulaC29H29ClF3N5O
Molecular Weight556.03 g/mol
Exact Mass555.20
IUPAC Name2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C29H29ClF3N5O/c1-2-37-12-9-19(10-13-37)14-20-5-7-22(16-24(20)29(31,32)33)36-27(39)15-21-6-8-23(17-25(21)30)38-18-35-26-4-3-11-34-28(26)38/h3-8,11,16-19H,2,9-10,12-15H2,1H3,(H,36,39)
InChIKeyUVFLWONAIKXRAC-UHFFFAOYSA-N
XLogP6.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.03
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 25065370) is 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UVFLWONAIKXRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClF3N5O/c1-2-37-12-9-19(10-13-37)14-20-5-7-22(16-24(20)29(31,32)33)36-27(39)15-21-6-8-23(17-25(21)30)38-18-35-26-4-3-11-34-28(26)38/h3-8,11,16-19H,2,9-10,12-15H2,1H3,(H,36,39).
What are the key properties of 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 556.03 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25065370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).