5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride

C58H57Cl2F4IN10O8 — CID 157193945

IUPAC5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride
SMILESCI.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCN(C)CC4(F)F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)c2o1.Cl.Cl
InChIInChI=1S/C29H27F2N5O4.C28H25F2N5O4.CH3I.2ClH/c1-35(2)28(37)22-13-24(38-4)20(15-34-22)25-12-21-27(40-25)19(7-9-33-21)17-5-6-23(18(11-17)14-32)39-26-8-10-36(3)16-29(26,30)31;1-35(2)27(36)21-12-23(37-3)19(14-34-21)24-11-20-26(39-24)18(6-9-33-20)16-4-5-22(17(10-16)13-31)38-25-7-8-32-15-28(25,29)30;1-2;;/h5-7,9,11-13,15,26H,8,10,16H2,1-4H3;4-6,9-12,14,25,32H,7-8,15H2,1-3H3;1H3;2*1H
InChIKeySJAYZMGKNGYYGA-UHFFFAOYSA-N
MW1295.96 g/mol
LogP11.27
Rot. Bonds12

About 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride

5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride (PubChem CID 157193945) has the molecular formula C58H57Cl2F4IN10O8 and a molecular weight of 1295.96 g/mol. Its IUPAC name is 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride.

Molecular Properties

Compound Name5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride
PubChem CID157193945
Molecular FormulaC58H57Cl2F4IN10O8
Molecular Weight1295.96 g/mol
Exact Mass1294.27
IUPAC Name5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride
SMILESCI.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCN(C)CC4(F)F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)c2o1.Cl.Cl
InChIInChI=1S/C29H27F2N5O4.C28H25F2N5O4.CH3I.2ClH/c1-35(2)28(37)22-13-24(38-4)20(15-34-22)25-12-21-27(40-25)19(7-9-33-21)17-5-6-23(18(11-17)14-32)39-26-8-10-36(3)16-29(26,30)31;1-35(2)27(36)21-12-23(37-3)19(14-34-21)24-11-20-26(39-24)18(6-9-33-20)16-4-5-22(17(10-16)13-31)38-25-7-8-32-15-28(25,29)30;1-2;;/h5-7,9,11-13,15,26H,8,10,16H2,1-4H3;4-6,9-12,14,25,32H,7-8,15H2,1-3H3;1H3;2*1H
InChIKeySJAYZMGKNGYYGA-UHFFFAOYSA-N
XLogP11.27
TPSA218.23 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.96
LogP ≤ 511.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride 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

4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]benzamide
CID 71679026
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methoxybenzamide
CID 71679194
5-[2-[2-Fluoro-4-(piperazine-1-carbonyl)phenyl]furo[3,2-b]pyridin-7-yl]-2-(oxan-4-yloxy)benzonitrile
CID 89738922
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[2-(methylamino)ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 89738949
N-(2-aminopropyl)-N-[4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
CID 89738950
N-(2-aminopropyl)-4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 89738951
4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 89750560
5-[7-[3-cyano-4-(3-fluoropyrrolidin-1-yl)phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2-carboxamide
CID 124155920
6-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-5-methoxy-N,N-dimethylpyridine-3-carboxamide
CID 124155941
Tert-butyl 4-[2-cyano-4-[2-[4-(dimethylcarbamoyl)-2-methoxyphenyl]furo[3,2-b]pyridin-7-yl]phenoxy]-3,3-difluoropiperidine-1-carboxylate
CID 124155981
5-[7-[3-cyano-4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide
CID 124155992
4-[7-[3-cyano-5-fluoro-4-(4-oxaspiro[2.5]octan-7-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-3-methoxy-N,N-dimethylbenzamide
CID 124156021

Frequently Asked Questions

What is the IUPAC name of 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride?
The IUPAC name of 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride (CID 157193945) is 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride.
What is the SMILES notation for 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride?
The canonical SMILES for 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride is CI.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCN(C)CC4(F)F)c(C#N)c3)c2o1.COc1cc(C(=O)N(C)C)ncc1-c1cc2nccc(-c3ccc(OC4CCNCC4(F)F)c(C#N)c3)c2o1.Cl.Cl.
What is the InChIKey of 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride?
The InChIKey is SJAYZMGKNGYYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O4.C28H25F2N5O4.CH3I.2ClH/c1-35(2)28(37)22-13-24(38-4)20(15-34-22)25-12-21-27(40-25)19(7-9-33-21)17-5-6-23(18(11-17)14-32)39-26-8-10-36(3)16-29(26,30)31;1-35(2)27(36)21-12-23(37-3)19(14-34-21)24-11-20-26(39-24)18(6-9-33-20)16-4-5-22(17(10-16)13-31)38-25-7-8-32-15-28(25,29)30;1-2;;/h5-7,9,11-13,15,26H,8,10,16H2,1-4H3;4-6,9-12,14,25,32H,7-8,15H2,1-3H3;1H3;2*1H.
What are the key properties of 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride?
5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride has a molecular weight of 1295.96 g/mol, XLogP of 11.27, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[3-cyano-4-(3,3-difluoro-1-methylpiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;5-[7-[3-cyano-4-(3,3-difluoropiperidin-4-yl)oxyphenyl]furo[3,2-b]pyridin-2-yl]-4-methoxy-N,N-dimethylpyridine-2-carboxamide;iodomethane;dihydrochloride is sourced from PubChem (CID 157193945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).