2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol

C22H26F3N5O — CID 171400213

IUPAC2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol
SMILESCC(C)n1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(NC3CCCN(C)C3)ccc21
InChIInChI=1S/C22H26F3N5O/c1-13(2)30-17-8-9-19(26-15-5-4-10-29(3)12-15)27-20(17)28-21(30)16-7-6-14(11-18(16)31)22(23,24)25/h6-9,11,13,15,31H,4-5,10,12H2,1-3H3,(H,26,27)
InChIKeyAHAISQGATJNSPU-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.91
Rot. Bonds4

About 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol

2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol (PubChem CID 171400213) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol
PubChem CID171400213
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol
SMILESCC(C)n1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(NC3CCCN(C)C3)ccc21
InChIInChI=1S/C22H26F3N5O/c1-13(2)30-17-8-9-19(26-15-5-4-10-29(3)12-15)27-20(17)28-21(30)16-7-6-14(11-18(16)31)22(23,24)25/h6-9,11,13,15,31H,4-5,10,12H2,1-3H3,(H,26,27)
InChIKeyAHAISQGATJNSPU-UHFFFAOYSA-N
XLogP4.91
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-methyl-2-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[4,5-d][1,3]thiazol-5-yl]-5-(trifluoromethyl)phenol
CID 172554987
formic acid;2-[4-[[(3R)-1-methylpiperidin-3-yl]amino]imidazo[1,5-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 175599350
3-[2-hydroxy-4-(trifluoromethyl)phenyl]-4-methyl-6-[(1-methylpiperidin-3-yl)amino]-1,2,4-triazin-5-one;2,2,2-trifluoroacetic acid
CID 174227768
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-[4-[(1-methylpiperidin-3-yl)amino]furo[2,3-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 170157149
2-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrazolo[3,4-b]pyridin-6-amine
CID 170743427
3-fluoro-2-[7-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrrolo[1,2-d][1,2,4]triazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852789
1-[2-(difluoromethoxy)-4-(trifluoromethyl)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]pyrrolo[1,2-d][1,2,4]triazin-4-amine
CID 171852361
2-[7-[(1-methylpiperidin-3-yl)amino]thieno[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166460017
2-[1-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrrolo[2,3-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 170260018
2-[1-[[(3R)-1-methylpiperidin-3-yl]amino]pyrido[3,4-d]pyridazin-4-yl]-5-(trifluoromethyl)phenol
CID 166518693

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol (CID 171400213) is 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol is CC(C)n1c(-c2ccc(C(F)(F)F)cc2O)nc2nc(NC3CCCN(C)C3)ccc21.
What is the InChIKey of 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol?
The InChIKey is AHAISQGATJNSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c1-13(2)30-17-8-9-19(26-15-5-4-10-29(3)12-15)27-20(17)28-21(30)16-7-6-14(11-18(16)31)22(23,24)25/h6-9,11,13,15,31H,4-5,10,12H2,1-3H3,(H,26,27).
What are the key properties of 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol?
2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol has a molecular weight of 433.48 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-methylpiperidin-3-yl)amino]-1-propan-2-ylimidazo[4,5-b]pyridin-2-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 171400213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).