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

C28H29F3N6O — CID 11993579

IUPAC2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCC(N(C)c2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H29F3N6O/c1-35-14-11-21(12-15-35)36(2)25-10-7-20(17-23(25)28(29,30)31)34-26(38)16-19-5-8-22(9-6-19)37-18-33-24-4-3-13-32-27(24)37/h3-10,13,17-18,21H,11-12,14-16H2,1-2H3,(H,34,38)
InChIKeyJHDTVKCMHHSSNN-UHFFFAOYSA-N
MW522.58 g/mol
LogP5.15
Rot. Bonds6

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

2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 11993579) has the molecular formula C28H29F3N6O and a molecular weight of 522.58 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID11993579
Molecular FormulaC28H29F3N6O
Molecular Weight522.58 g/mol
Exact Mass522.24
IUPAC Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCC(N(C)c2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C28H29F3N6O/c1-35-14-11-21(12-15-35)36(2)25-10-7-20(17-23(25)28(29,30)31)34-26(38)16-19-5-8-22(9-6-19)37-18-33-24-4-3-13-32-27(24)37/h3-10,13,17-18,21H,11-12,14-16H2,1-2H3,(H,34,38)
InChIKeyJHDTVKCMHHSSNN-UHFFFAOYSA-N
XLogP5.15
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide (CID 11993579) is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide is CN1CCC(N(C)c2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JHDTVKCMHHSSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O/c1-35-14-11-21(12-15-35)36(2)25-10-7-20(17-23(25)28(29,30)31)34-26(38)16-19-5-8-22(9-6-19)37-18-33-24-4-3-13-32-27(24)37/h3-10,13,17-18,21H,11-12,14-16H2,1-2H3,(H,34,38).
What are the key properties of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 522.58 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11993579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).