2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide

C23H26N4O3 — CID 126475376

IUPAC2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-16(2)22(28)24-21-19-5-3-4-6-20(19)27(25-21)15-17-7-9-18(10-8-17)23(29)26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,25,28)
InChIKeyAXOGHAAGAZCTOY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.15
Rot. Bonds5

About 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide

2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide (PubChem CID 126475376) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
PubChem CID126475376
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
SMILESCC(C)C(=O)Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C23H26N4O3/c1-16(2)22(28)24-21-19-5-3-4-6-20(19)27(25-21)15-17-7-9-18(10-8-17)23(29)26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,25,28)
InChIKeyAXOGHAAGAZCTOY-UHFFFAOYSA-N
XLogP3.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323592
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide
CID 59606921
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 138999092
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
1-methyl-3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 51935416
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
3-[[4-(morpholine-4-carbonyl)phenyl]methyl]-1H-quinazoline-2,4-dione
CID 167990896
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide (CID 126475376) is 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide is CC(C)C(=O)Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide?
The InChIKey is AXOGHAAGAZCTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(2)22(28)24-21-19-5-3-4-6-20(19)27(25-21)15-17-7-9-18(10-8-17)23(29)26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,25,28).
What are the key properties of 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide?
2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide is sourced from PubChem (CID 126475376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).