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

C30H32F3N5O — CID 25065168

IUPAC2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)N1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H32F3N5O/c1-20(2)37-14-11-22(12-15-37)16-23-7-8-24(18-26(23)30(31,32)33)36-28(39)17-21-5-9-25(10-6-21)38-19-35-27-4-3-13-34-29(27)38/h3-10,13,18-20,22H,11-12,14-17H2,1-2H3,(H,36,39)
InChIKeyGQEYDEKPFICYRH-UHFFFAOYSA-N
MW535.61 g/mol
LogP6.28
Rot. Bonds7

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

2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25065168) has the molecular formula C30H32F3N5O and a molecular weight of 535.61 g/mol. Its IUPAC name is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25065168
Molecular FormulaC30H32F3N5O
Molecular Weight535.61 g/mol
Exact Mass535.26
IUPAC Name2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)N1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H32F3N5O/c1-20(2)37-14-11-22(12-15-37)16-23-7-8-24(18-26(23)30(31,32)33)36-28(39)17-21-5-9-25(10-6-21)38-19-35-27-4-3-13-34-29(27)38/h3-10,13,18-20,22H,11-12,14-17H2,1-2H3,(H,36,39)
InChIKeyGQEYDEKPFICYRH-UHFFFAOYSA-N
XLogP6.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 56.28
H-Bond Donors ≤ 51
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-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 25065168) is 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CC(C)N1CCC(Cc2ccc(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-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GQEYDEKPFICYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O/c1-20(2)37-14-11-22(12-15-37)16-23-7-8-24(18-26(23)30(31,32)33)36-28(39)17-21-5-9-25(10-6-21)38-19-35-27-4-3-13-34-29(27)38/h3-10,13,18-20,22H,11-12,14-17H2,1-2H3,(H,36,39).
What are the key properties of 2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 535.61 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 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-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25065168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).