N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide

C28H30N4O3 — CID 18765386

IUPACN-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3ccccc3)c3ccccc3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C28H30N4O3/c1-34-25-14-8-13-24-26(29-32(27(24)25)16-15-30-17-19-35-20-18-30)28(33)31(23-11-6-3-7-12-23)21-22-9-4-2-5-10-22/h2-14H,15-21H2,1H3
InChIKeyOSEHJOZAPNPCLL-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.22
Rot. Bonds8

About N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide

N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide (PubChem CID 18765386) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
PubChem CID18765386
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)N(Cc3ccccc3)c3ccccc3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C28H30N4O3/c1-34-25-14-8-13-24-26(29-32(27(24)25)16-15-30-17-19-35-20-18-30)28(33)31(23-11-6-3-7-12-23)21-22-9-4-2-5-10-22/h2-14H,15-21H2,1H3
InChIKeyOSEHJOZAPNPCLL-UHFFFAOYSA-N
XLogP4.22
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-1-(2-morpholin-4-ylethyl)-N-propan-2-ylindazole-3-carboxamide
CID 18765426
7-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604492
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)indazole-3-carboxamide
CID 18765507
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(1-phenylpropyl)indazole-3-carboxamide
CID 18765265
N-(2,3-dihydro-1H-inden-2-yl)-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604642
7-methoxy-1-(2-morpholin-4-ylethyl)-N-(2,4,6-trimethylphenyl)indazole-3-carboxamide
CID 18765263
7-methoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)-2-phenylethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604397
7-methoxy-N-[2-(3-methylimidazol-4-yl)ethyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765480
7-methoxy-N-(5-methyl-2-pyridinyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 20604498
(2S)-1-[7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 20604358
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765320
N-[1-(4-chlorophenyl)propan-2-yl]-7-methoxy-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 18765301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide?
The IUPAC name of N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide (CID 18765386) is N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide.
What is the SMILES notation for N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide?
The canonical SMILES for N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide is COc1cccc2c(C(=O)N(Cc3ccccc3)c3ccccc3)nn(CCN3CCOCC3)c12.
What is the InChIKey of N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide?
The InChIKey is OSEHJOZAPNPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-25-14-8-13-24-26(29-32(27(24)25)16-15-30-17-19-35-20-18-30)28(33)31(23-11-6-3-7-12-23)21-22-9-4-2-5-10-22/h2-14H,15-21H2,1H3.
What are the key properties of N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide?
N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-methoxy-1-(2-morpholin-4-ylethyl)-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 18765386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).