3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine

C82H70F2N22O3 — CID 161472823

IUPAC3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
SMILESCC1=NCc2ccc(NC3=NCc4cc(F)cnc43)cc21.CC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21.Cc1noc2cc(NC3=NCc4cccnc43)ccc12.c1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C18H17N5O.C17H15N5O.2C16H13FN4.C15H12N4O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16;1-9-14-5-13(3-2-10(14)6-18-9)21-16-15-11(7-20-16)4-12(17)8-19-15;1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16;1-9-12-5-4-11(7-13(12)20-19-9)18-15-14-10(8-17-15)3-2-6-16-14/h3,6-11H,1-2,4-5H2,(H2,20,21,22);2,5-10H,1,3-4H2,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H,20,21);2-5,7H,6,8H2,1H3,(H,20,21);2-7H,8H2,1H3,(H,17,18)
InChIKeyWDHVAYBQAXJRTH-UHFFFAOYSA-N
MW1449.61 g/mol
LogP17.35
Rot. Bonds9

About 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine

3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine (PubChem CID 161472823) has the molecular formula C82H70F2N22O3 and a molecular weight of 1449.61 g/mol. Its IUPAC name is 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
PubChem CID161472823
Molecular FormulaC82H70F2N22O3
Molecular Weight1449.61 g/mol
Exact Mass1448.60
IUPAC Name3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
SMILESCC1=NCc2ccc(NC3=NCc4cc(F)cnc43)cc21.CC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21.Cc1noc2cc(NC3=NCc4cccnc43)ccc12.c1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C18H17N5O.C17H15N5O.2C16H13FN4.C15H12N4O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16;1-9-14-5-13(3-2-10(14)6-18-9)21-16-15-11(7-20-16)4-12(17)8-19-15;1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16;1-9-12-5-4-11(7-13(12)20-19-9)18-15-14-10(8-17-15)3-2-6-16-14/h3,6-11H,1-2,4-5H2,(H2,20,21,22);2,5-10H,1,3-4H2,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H,20,21);2-5,7H,6,8H2,1H3,(H,20,21);2-7H,8H2,1H3,(H,17,18)
InChIKeyWDHVAYBQAXJRTH-UHFFFAOYSA-N
XLogP17.35
TPSA321.85 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.61
LogP ≤ 517.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine 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

3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134189963
3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190004
3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190042
3-(2-fluorohexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190092
3-(1-fluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190095
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190119
3-(1,1-difluoropropan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190256
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(1,1,1-trifluoroheptan-2-yl)-1,2-benzoxazol-6-amine
CID 149090145
1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]hexan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(2H-indazol-3-yl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-methylphenyl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]propan-2-one;1-[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]-3-(3-propan-2-yl-1H-pyrazol-5-yl)propan-2-one
CID 157539510
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
N-[3-(1,1-difluoropropyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3-fluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-heptan-2-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158429192

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine (CID 161472823) is 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine is CC1=NCc2ccc(NC3=NCc4cc(F)cnc43)cc21.CC1=NCc2ccc(NC3=NCc4ncc(F)cc43)cc21.Cc1noc2cc(NC3=NCc4cccnc43)ccc12.c1cnc2c(Nc3ccc4c(C5CCC5)noc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4c(C5CCCC5)noc4c3)n[nH]c2c1.
What is the InChIKey of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine?
The InChIKey is WDHVAYBQAXJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O.C17H15N5O.2C16H13FN4.C15H12N4O/c1-2-5-11(4-1)16-13-8-7-12(10-15(13)24-23-16)20-18-17-14(21-22-18)6-3-9-19-17;1-3-10(4-1)15-12-7-6-11(9-14(12)23-22-15)19-17-16-13(20-21-17)5-2-8-18-16;1-9-14-5-13(3-2-10(14)6-18-9)21-16-15-11(7-20-16)4-12(17)8-19-15;1-9-13-5-12(3-2-10(13)6-18-9)21-16-14-4-11(17)7-19-15(14)8-20-16;1-9-12-5-4-11(7-13(12)20-19-9)18-15-14-10(8-17-15)3-2-6-16-14/h3,6-11H,1-2,4-5H2,(H2,20,21,22);2,5-10H,1,3-4H2,(H2,19,20,21);2-5,8H,6-7H2,1H3,(H,20,21);2-5,7H,6,8H2,1H3,(H,20,21);2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine?
3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine has a molecular weight of 1449.61 g/mol, XLogP of 17.35, 9 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-cyclopentyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-5H-pyrrolo[3,4-b]pyridin-7-amine;3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine;3-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 161472823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).