3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane

C80H77F5N26O5 — CID 161384077

IUPAC3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane
SMILESC.C.C.CC(C)(C)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(F)(F)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12.Cc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12.Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H21N5O.C17H15F2N5O.2C14H10FN5O.C13H9FN6O.3CH4/c1-19(2,3)9-8-14-13-7-6-12(11-16(13)25-24-14)21-18-17-15(22-23-18)5-4-10-20-17;1-17(18,19)7-6-12-11-5-4-10(9-14(11)25-24-12)21-16-15-13(22-23-16)3-2-8-20-15;1-7-9-5-8(6-10(15)13(9)21-20-7)17-14-12-11(18-19-14)3-2-4-16-12;1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14;1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10;;;/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,23);2-5,8-9H,6-7H2,1H3,(H2,21,22,23);2-6H,1H3,(H2,17,18,19);2-6H,1H3,(H2,16,17,18,19);2-5H,1H3,(H2,16,17,18,19);3*1H4
InChIKeyVSCIIWWSMCWZMS-UHFFFAOYSA-N
MW1577.66 g/mol
LogP20.43
Rot. Bonds15

About 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane

3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane (PubChem CID 161384077) has the molecular formula C80H77F5N26O5 and a molecular weight of 1577.66 g/mol. Its IUPAC name is 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane.

Molecular Properties

Compound Name3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane
PubChem CID161384077
Molecular FormulaC80H77F5N26O5
Molecular Weight1577.66 g/mol
Exact Mass1576.65
IUPAC Name3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane
SMILESC.C.C.CC(C)(C)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(F)(F)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12.Cc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12.Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12
InChIInChI=1S/C19H21N5O.C17H15F2N5O.2C14H10FN5O.C13H9FN6O.3CH4/c1-19(2,3)9-8-14-13-7-6-12(11-16(13)25-24-14)21-18-17-15(22-23-18)5-4-10-20-17;1-17(18,19)7-6-12-11-5-4-10(9-14(11)25-24-12)21-16-15-13(22-23-16)3-2-8-20-15;1-7-9-5-8(6-10(15)13(9)21-20-7)17-14-12-11(18-19-14)3-2-4-16-12;1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14;1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10;;;/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,23);2-5,8-9H,6-7H2,1H3,(H2,21,22,23);2-6H,1H3,(H2,17,18,19);2-6H,1H3,(H2,16,17,18,19);2-5H,1H3,(H2,16,17,18,19);3*1H4
InChIKeyVSCIIWWSMCWZMS-UHFFFAOYSA-N
XLogP20.43
TPSA411.04 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001577.66
LogP ≤ 520.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane with MolForge

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Related Compounds

3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190027
3-(2,2-dimethylpropyl)-4-fluoro-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190008
3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190062
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190078
3-(2,2-dimethylpropyl)-7-fluoro-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190096
3-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190207
3-[(4,4-difluoropiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine
CID 134190232
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
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;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;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
(3,3-difluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(3-fluoropiperidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;(1-methylidene-1-oxo-1,4-thiazepan-4-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone
CID 158945860

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane?
The IUPAC name of 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane (CID 161384077) is 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane.
What is the SMILES notation for 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane?
The canonical SMILES for 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane is C.C.C.CC(C)(C)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC(F)(F)CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1noc2c(F)cc(Nc3[nH]nc4ncccc34)cc12.Cc1noc2c(F)cc(Nc3[nH]nc4nccnc34)cc12.Cc1noc2c(F)cc(Nc3n[nH]c4cccnc34)cc12.
What is the InChIKey of 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane?
The InChIKey is VSCIIWWSMCWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.C17H15F2N5O.2C14H10FN5O.C13H9FN6O.3CH4/c1-19(2,3)9-8-14-13-7-6-12(11-16(13)25-24-14)21-18-17-15(22-23-18)5-4-10-20-17;1-17(18,19)7-6-12-11-5-4-10(9-14(11)25-24-12)21-16-15-13(22-23-16)3-2-8-20-15;1-7-9-5-8(6-10(15)13(9)21-20-7)17-14-12-11(18-19-14)3-2-4-16-12;1-7-10-5-8(6-11(15)12(10)21-20-7)17-14-9-3-2-4-16-13(9)18-19-14;1-6-8-4-7(5-9(14)11(8)21-20-6)17-13-10-12(18-19-13)16-3-2-15-10;;;/h4-7,10-11H,8-9H2,1-3H3,(H2,21,22,23);2-5,8-9H,6-7H2,1H3,(H2,21,22,23);2-6H,1H3,(H2,17,18,19);2-6H,1H3,(H2,16,17,18,19);2-5H,1H3,(H2,16,17,18,19);3*1H4.
What are the key properties of 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane?
3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane has a molecular weight of 1577.66 g/mol, XLogP of 20.43, 15 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorobutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;7-fluoro-3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine;methane is sourced from PubChem (CID 161384077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).