N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

C21H24N4O2 — CID 53179909

IUPACN-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H24N4O2/c26-21(22-16-17-6-2-1-3-7-17)20-18-8-4-5-9-19(18)25(23-20)11-10-24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,26)
InChIKeyMKMQLFFTLRSWNT-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.30
Rot. Bonds6

About N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide

N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (PubChem CID 53179909) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
PubChem CID53179909
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1nn(CCN2CCOCC2)c2ccccc12
InChIInChI=1S/C21H24N4O2/c26-21(22-16-17-6-2-1-3-7-17)20-18-8-4-5-9-19(18)25(23-20)11-10-24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,26)
InChIKeyMKMQLFFTLRSWNT-UHFFFAOYSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179916
N-benzyl-1-methyl-5-(2-morpholin-4-ylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162521
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
CID 18695482
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1-(phenylsulfanylmethyl)cinnoline-3-carboxamide
CID 10165572
N-benzyl-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277602
N-benzyl-2-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109301415
N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
1-(oxan-4-ylmethyl)indazole-3-carboxylic acid
CID 55178208

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide (CID 53179909) is N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is O=C(NCc1ccccc1)c1nn(CCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
The InChIKey is MKMQLFFTLRSWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(22-16-17-6-2-1-3-7-17)20-18-8-4-5-9-19(18)25(23-20)11-10-24-12-14-27-15-13-24/h1-9H,10-16H2,(H,22,26).
What are the key properties of N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide?
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide is sourced from PubChem (CID 53179909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).