6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide

C16H15F2N5O2 — CID 171819929

IUPAC6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(F)F
InChIInChI=1S/C16H15F2N5O2/c1-6-3-4-8(24)7(2)9(6)10-11(19)13(14(20)25)22-15-12(10)21-5-23(15)16(17)18/h3-5,16,24H,19H2,1-2H3,(H2,20,25)
InChIKeyOBMDENQBGUYQAD-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.50
Rot. Bonds3

About 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide

6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 171819929) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID171819929
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(F)F
InChIInChI=1S/C16H15F2N5O2/c1-6-3-4-8(24)7(2)9(6)10-11(19)13(14(20)25)22-15-12(10)21-5-23(15)16(17)18/h3-5,16,24H,19H2,1-2H3,(H2,20,25)
InChIKeyOBMDENQBGUYQAD-UHFFFAOYSA-N
XLogP2.50
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869396
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869445
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869646
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)pyrido[2,3-b]pyrazine-6-carboxamide
CID 171645242
2-(3-Hydroxyphenyl)-9-phenylpurine-6-carboxamide
CID 46887864
9-Benzyl-2-(2-hydroxyphenyl)purine-6-carboxamide
CID 136086745
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869385
6-Amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869426
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869497
6-Amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869520
6-Amino-2-ethenyl-5-(3-hydroxy-2,6-dimethylphenyl)-3-(trifluoromethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869538

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 171819929) is 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(F)F.
What is the InChIKey of 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is OBMDENQBGUYQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-6-3-4-8(24)7(2)9(6)10-11(19)13(14(20)25)22-15-12(10)21-5-23(15)16(17)18/h3-5,16,24H,19H2,1-2H3,(H2,20,25).
What are the key properties of 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(difluoromethyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 171819929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).