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

C19H19F2N5O2 — CID 171819869

IUPAC6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C1CC(F)(F)C1
InChIInChI=1S/C19H19F2N5O2/c1-8-3-4-11(27)9(2)12(8)13-14(22)16(17(23)28)25-18-15(13)24-7-26(18)10-5-19(20,21)6-10/h3-4,7,10,27H,5-6,22H2,1-2H3,(H2,23,28)
InChIKeyCUAAOKNCXVXOIO-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.07
Rot. Bonds3

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

6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 171819869) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID171819869
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C1CC(F)(F)C1
InChIInChI=1S/C19H19F2N5O2/c1-8-3-4-11(27)9(2)12(8)13-14(22)16(17(23)28)25-18-15(13)24-7-26(18)10-5-19(20,21)6-10/h3-4,7,10,27H,5-6,22H2,1-2H3,(H2,23,28)
InChIKeyCUAAOKNCXVXOIO-UHFFFAOYSA-N
XLogP3.07
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.07
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-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869528
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)pyrido[2,3-b]pyrazine-6-carboxamide
CID 171645242
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
6-Amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869591
6-Amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869597
2-(2-Hydroxyphenyl)-9-methylpurine-6-carboxamide
CID 177647818
2-(4-Hydroxyphenyl)-9-methylpurine-6-carboxamide
CID 177650514

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 171819869) is 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 6-amino-3-(3,3-difluorocyclobutyl)-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)nc2c1ncn2C1CC(F)(F)C1.
What is the InChIKey of 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is CUAAOKNCXVXOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c1-8-3-4-11(27)9(2)12(8)13-14(22)16(17(23)28)25-18-15(13)24-7-26(18)10-5-19(20,21)6-10/h3-4,7,10,27H,5-6,22H2,1-2H3,(H2,23,28).
What are the key properties of 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide?
6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3,3-difluorocyclobutyl)-7-(3-hydroxy-2,6-dimethylphenyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 171819869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).