N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane

C23H28ClFN4O2 — CID 156793641

IUPACN-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane
SMILESCC.Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c(F)c(CN3CCOCC3)ccc21
InChIInChI=1S/C21H22ClFN4O2.C2H6/c1-26-17-7-4-15(13-27-8-10-29-11-9-27)19(23)18(17)20(25-26)21(28)24-12-14-2-5-16(22)6-3-14;1-2/h2-7H,8-13H2,1H3,(H,24,28);1-2H3
InChIKeyIVGIFLGUIUVLDC-UHFFFAOYSA-N
MW446.95 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane

N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane (PubChem CID 156793641) has the molecular formula C23H28ClFN4O2 and a molecular weight of 446.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane
PubChem CID156793641
Molecular FormulaC23H28ClFN4O2
Molecular Weight446.95 g/mol
Exact Mass446.19
IUPAC NameN-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane
SMILESCC.Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c(F)c(CN3CCOCC3)ccc21
InChIInChI=1S/C21H22ClFN4O2.C2H6/c1-26-17-7-4-15(13-27-8-10-29-11-9-27)19(23)18(17)20(25-26)21(28)24-12-14-2-5-16(22)6-3-14;1-2/h2-7H,8-13H2,1H3,(H,24,28);1-2H3
InChIKeyIVGIFLGUIUVLDC-UHFFFAOYSA-N
XLogP4.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
N-[(4-chlorophenyl)methyl]-8-[(3-hydroxypiperidin-1-yl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide
CID 10230601
N-[(4-chlorophenyl)methyl]-8-[(3R)-3-hydroxybut-1-ynyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide
CID 10206908
N-[(4-chlorophenyl)methyl]-8-[3-(4,5-dichloroimidazol-1-yl)propyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxocinnoline-3-carboxamide
CID 10282278
N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1-(phenylsulfanylmethyl)cinnoline-3-carboxamide
CID 10165572
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-[(4-chlorophenyl)methyl]-2-[3-(morpholin-4-ylmethyl)-6-oxopyrimido[1,2-a]pyrimidin-7-yl]acetamide
CID 139979754
2-(4-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 133204186
N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]-6-oxopyrimidine-4-carboxamide
CID 54712036
N-[(4-chlorophenyl)methyl]-6-[(3,5-dimethyltriazol-4-yl)methyl]-1-methyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepine-3-carboxamide
CID 170778472
N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-4-oxopyrimido[1,2-b]pyridazine-3-carboxamide
CID 22397240
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane (CID 156793641) is N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane is CC.Cn1nc(C(=O)NCc2ccc(Cl)cc2)c2c(F)c(CN3CCOCC3)ccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane?
The InChIKey is IVGIFLGUIUVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2.C2H6/c1-26-17-7-4-15(13-27-8-10-29-11-9-27)19(23)18(17)20(25-26)21(28)24-12-14-2-5-16(22)6-3-14;1-2/h2-7H,8-13H2,1H3,(H,24,28);1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane?
N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane has a molecular weight of 446.95 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-fluoro-1-methyl-5-(morpholin-4-ylmethyl)indazole-3-carboxamide;ethane is sourced from PubChem (CID 156793641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).