[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone

C20H21N3O2 — CID 53012811

IUPAC[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Cn2ncc3ccc(C(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C20H21N3O2/c1-15-2-4-16(5-3-15)14-23-19-12-17(6-7-18(19)13-21-23)20(24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyVHFWSQXMWTWRLA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.87
Rot. Bonds3

About [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone

[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 53012811) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID53012811
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Cn2ncc3ccc(C(=O)N4CCOCC4)cc32)cc1
InChIInChI=1S/C20H21N3O2/c1-15-2-4-16(5-3-15)14-23-19-12-17(6-7-18(19)13-21-23)20(24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3
InChIKeyVHFWSQXMWTWRLA-UHFFFAOYSA-N
XLogP2.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323592
[1-[(3-chlorophenyl)methyl]indazol-6-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53012817
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[2-[[5-amino-1-[(4-methylphenyl)methyl]pyrazol-4-yl]amino]-5-(pyrrolidine-1-carbonyl)phenyl]urea
CID 69225287
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone (CID 53012811) is [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone is Cc1ccc(Cn2ncc3ccc(C(=O)N4CCOCC4)cc32)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is VHFWSQXMWTWRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-2-4-16(5-3-15)14-23-19-12-17(6-7-18(19)13-21-23)20(24)22-8-10-25-11-9-22/h2-7,12-13H,8-11,14H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone?
[1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 53012811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).