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

C26H24N4O3 — CID 126472377

IUPACN-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(20-6-2-1-3-7-20)27-24-22-8-4-5-9-23(22)30(28-24)18-19-10-12-21(13-11-19)26(32)29-14-16-33-17-15-29/h1-13H,14-18H2,(H,27,28,31)
InChIKeyPXOSQHIWUCWEPF-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.81
Rot. Bonds5

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

N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide (PubChem CID 126472377) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
PubChem CID126472377
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
SMILESO=C(Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C26H24N4O3/c31-25(20-6-2-1-3-7-20)27-24-22-8-4-5-9-23(22)30(28-24)18-19-10-12-21(13-11-19)26(32)29-14-16-33-17-15-29/h1-13H,14-18H2,(H,27,28,31)
InChIKeyPXOSQHIWUCWEPF-UHFFFAOYSA-N
XLogP3.81
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
CID 126475376
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
[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
1-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]indazole-3-carboxylic acid
CID 59341274
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[[4-(1,4,7,10,13-pentaoxa-16-azacyclooctadecane-16-carbonyl)phenyl]methyl]benzamide
CID 127243735
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323592
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 138999092

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide?
The IUPAC name of N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide (CID 126472377) is N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide.
What is the SMILES notation for N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide?
The canonical SMILES for N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide is O=C(Nc1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide?
The InChIKey is PXOSQHIWUCWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-25(20-6-2-1-3-7-20)27-24-22-8-4-5-9-23(22)30(28-24)18-19-10-12-21(13-11-19)26(32)29-14-16-33-17-15-29/h1-13H,14-18H2,(H,27,28,31).
What are the key properties of N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide?
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide is sourced from PubChem (CID 126472377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).