N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide

C48H35F6N13O12 — CID 157413562

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1.COc1ccnc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H15F2N5O4.2C15H10F2N4O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25;1-23-7-2-3-18-10(4-7)13(22)21-14-19-8-5-11-12(6-9(8)20-14)25-15(16,17)24-11;1-23-12-4-2-3-7(18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h5-9H,1-4H2,(H2,22,23,24,26);2*2-6H,1H3,(H2,19,20,21,22)
InChIKeyBOOOZYNMIQQJLH-UHFFFAOYSA-N
MW1099.87 g/mol
LogP7.45
Rot. Bonds9

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 157413562) has the molecular formula C48H35F6N13O12 and a molecular weight of 1099.87 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID157413562
Molecular FormulaC48H35F6N13O12
Molecular Weight1099.87 g/mol
Exact Mass1099.24
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1.COc1ccnc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C18H15F2N5O4.2C15H10F2N4O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25;1-23-7-2-3-18-10(4-7)13(22)21-14-19-8-5-11-12(6-9(8)20-14)25-15(16,17)24-11;1-23-12-4-2-3-7(18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h5-9H,1-4H2,(H2,22,23,24,26);2*2-6H,1H3,(H2,19,20,21,22)
InChIKeyBOOOZYNMIQQJLH-UHFFFAOYSA-N
XLogP7.45
TPSA298.32 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001099.87
LogP ≤ 57.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide 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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide
CID 118135794
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-(dimethylamino)pyridine-3-carboxamide
CID 118117178
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 118117807
(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone;2-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 157356613
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-methoxypyridine-3-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-pyrrolidin-1-ylbenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(difluoromethoxy)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-4-fluorobenzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethoxy)benzamide
CID 158340660
4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-fluorobenzamide;4-amino-N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(trifluoromethyl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-(dimethylamino)pyridine-4-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methoxypyridine-4-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-piperidin-1-ylbenzamide
CID 158804014
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-thiophen-2-ylpyridine-3-carboxamide
CID 159583366
1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea;1-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)urea;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-ethyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-methylpyridine-3-carboxamide;8-(6-piperazin-1-yl-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione
CID 160894266
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide;N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
CID 173170209
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170752
2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;2-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylbutanamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide;N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]propanamide
CID 173170753
N-[3-amino-1-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-oxopropyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[4-[[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]amino]-3-methyl-4-oxobutyl]pyrazine-2-carboxamide;2,6-difluoro-N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-methylpyridine-3-carboxamide;N-[5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylpyridine-4-carboxamide
CID 173422565

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide (CID 157413562) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide is COc1cccc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1.COc1ccnc(C(=O)Nc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1.O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is BOOOZYNMIQQJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O4.2C15H10F2N4O4/c19-18(20)28-14-6-12-13(7-15(14)29-18)23-17(22-12)24-16(26)10-5-11(9-21-8-10)25-1-3-27-4-2-25;1-23-7-2-3-18-10(4-7)13(22)21-14-19-8-5-11-12(6-9(8)20-14)25-15(16,17)24-11;1-23-12-4-2-3-7(18-12)13(22)21-14-19-8-5-10-11(6-9(8)20-14)25-15(16,17)24-10/h5-9H,1-4H2,(H2,22,23,24,26);2*2-6H,1H3,(H2,19,20,21,22).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 1099.87 g/mol, XLogP of 7.45, 9 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-6-methoxypyridine-2-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 157413562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).