N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide

C29H32FN5O2 — CID 171537653

IUPACN-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide
SMILESCCc1cc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc(F)c1C(=O)NC1CC(N(C)C)C1
InChIInChI=1S/C29H32FN5O2/c1-6-18-11-19(12-25(30)28(18)29(36)32-20-13-21(14-20)34(3)4)26-15-23(9-10-31-26)37-22-7-8-24-17(2)33-35(5)27(24)16-22/h7-12,15-16,20-21H,6,13-14H2,1-5H3,(H,32,36)
InChIKeyZMIVEHSLYJYHDE-UHFFFAOYSA-N
MW501.61 g/mol
LogP5.26
Rot. Bonds7

About N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide

N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide (PubChem CID 171537653) has the molecular formula C29H32FN5O2 and a molecular weight of 501.61 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide
PubChem CID171537653
Molecular FormulaC29H32FN5O2
Molecular Weight501.61 g/mol
Exact Mass501.25
IUPAC NameN-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide
SMILESCCc1cc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc(F)c1C(=O)NC1CC(N(C)C)C1
InChIInChI=1S/C29H32FN5O2/c1-6-18-11-19(12-25(30)28(18)29(36)32-20-13-21(14-20)34(3)4)26-15-23(9-10-31-26)37-22-7-8-24-17(2)33-35(5)27(24)16-22/h7-12,15-16,20-21H,6,13-14H2,1-5H3,(H,32,36)
InChIKeyZMIVEHSLYJYHDE-UHFFFAOYSA-N
XLogP5.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
2,5-dimethyl-N-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188591
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
CID 44159280
N-[4-[2-[2-(2,2-difluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670655
2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]indazole-4-carboxamide
CID 138671152
N-[4-[2-[2-(3,3-difluorocyclobutyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671231
N-[4-[2-[2-(2,2-difluoropropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671480
N-[4-[2-[2-(3,3-difluorocyclopentyl)oxy-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155347405
N-[4-[2-[2-(1,1-difluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155791868
N-[4-[2-[2-(2-fluoro-2-methylpropoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155791912
2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide
CID 10644045

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide?
The IUPAC name of N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide (CID 171537653) is N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide?
The canonical SMILES for N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide is CCc1cc(-c2cc(Oc3ccc4c(C)nn(C)c4c3)ccn2)cc(F)c1C(=O)NC1CC(N(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide?
The InChIKey is ZMIVEHSLYJYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O2/c1-6-18-11-19(12-25(30)28(18)29(36)32-20-13-21(14-20)34(3)4)26-15-23(9-10-31-26)37-22-7-8-24-17(2)33-35(5)27(24)16-22/h7-12,15-16,20-21H,6,13-14H2,1-5H3,(H,32,36).
What are the key properties of N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide?
N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide has a molecular weight of 501.61 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide is sourced from PubChem (CID 171537653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).