2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

C65H58F8N10O18 — CID 164963284

IUPAC2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESCCCOc1cc(-c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cc3c(cn2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.O=C(O)c1cc2c(cn1)OC(F)(F)O2.OCc1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C26H26F2N4O5.C25H24F2N4O6.C7H3F2NO4.C7H5F2NO3/c1-3-8-35-24-12-17(11-23(31-24)32-6-9-34-10-7-32)19-13-18(5-4-16(19)2)30-25(33)20-14-21-22(15-29-20)37-26(27,28)36-21;1-15-2-3-17(29-24(33)19-13-20-21(14-28-19)37-25(26,27)36-20)12-18(15)16-10-22(31-4-7-34-8-5-31)30-23(11-16)35-9-6-32;8-7(9)13-4-1-3(6(11)12)10-2-5(4)14-7;8-7(9)12-5-1-4(3-11)10-2-6(5)13-7/h4-5,11-15H,3,6-10H2,1-2H3,(H,30,33);2-3,10-14,32H,4-9H2,1H3,(H,29,33);1-2H,(H,11,12);1-2,11H,3H2
InChIKeyCCZLOWATZOAJCW-UHFFFAOYSA-N
MW1419.21 g/mol
LogP9.88
Rot. Bonds16

About 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide

2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (PubChem CID 164963284) has the molecular formula C65H58F8N10O18 and a molecular weight of 1419.21 g/mol. Its IUPAC name is 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
PubChem CID164963284
Molecular FormulaC65H58F8N10O18
Molecular Weight1419.21 g/mol
Exact Mass1418.38
IUPAC Name2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
SMILESCCCOc1cc(-c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cc3c(cn2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.O=C(O)c1cc2c(cn1)OC(F)(F)O2.OCc1cc2c(cn1)OC(F)(F)O2
InChIInChI=1S/C26H26F2N4O5.C25H24F2N4O6.C7H3F2NO4.C7H5F2NO3/c1-3-8-35-24-12-17(11-23(31-24)32-6-9-34-10-7-32)19-13-18(5-4-16(19)2)30-25(33)20-14-21-22(15-29-20)37-26(27,28)36-21;1-15-2-3-17(29-24(33)19-13-20-21(14-28-19)37-25(26,27)36-20)12-18(15)16-10-22(31-4-7-34-8-5-31)30-23(11-16)35-9-6-32;8-7(9)13-4-1-3(6(11)12)10-2-5(4)14-7;8-7(9)12-5-1-4(3-11)10-2-6(5)13-7/h4-5,11-15H,3,6-10H2,1-2H3,(H,30,33);2-3,10-14,32H,4-9H2,1H3,(H,29,33);1-2H,(H,11,12);1-2,11H,3H2
InChIKeyCCZLOWATZOAJCW-UHFFFAOYSA-N
XLogP9.88
TPSA330.54 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001419.21
LogP ≤ 59.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide (CID 164963284) is 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is CCCOc1cc(-c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2C)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)c2cc3c(cn2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.O=C(O)c1cc2c(cn1)OC(F)(F)O2.OCc1cc2c(cn1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
The InChIKey is CCZLOWATZOAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O5.C25H24F2N4O6.C7H3F2NO4.C7H5F2NO3/c1-3-8-35-24-12-17(11-23(31-24)32-6-9-34-10-7-32)19-13-18(5-4-16(19)2)30-25(33)20-14-21-22(15-29-20)37-26(27,28)36-21;1-15-2-3-17(29-24(33)19-13-20-21(14-28-19)37-25(26,27)36-20)12-18(15)16-10-22(31-4-7-34-8-5-31)30-23(11-16)35-9-6-32;8-7(9)13-4-1-3(6(11)12)10-2-5(4)14-7;8-7(9)12-5-1-4(3-11)10-2-6(5)13-7/h4-5,11-15H,3,6-10H2,1-2H3,(H,30,33);2-3,10-14,32H,4-9H2,1H3,(H,29,33);1-2H,(H,11,12);1-2,11H,3H2.
What are the key properties of 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide?
2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide has a molecular weight of 1419.21 g/mol, XLogP of 9.88, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 164963284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).