3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid

C19H19N3O3 — CID 39219778

IUPAC3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccc(CN4CCOCC4)c3)c12
InChIInChI=1S/C19H19N3O3/c23-19(24)15-5-2-6-16-17(15)18(21-20-16)14-4-1-3-13(11-14)12-22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,21)(H,23,24)
InChIKeyXGKSLRJIGKZVHS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds4

About 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid

3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid (PubChem CID 39219778) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
PubChem CID39219778
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]nc(-c3cccc(CN4CCOCC4)c3)c12
InChIInChI=1S/C19H19N3O3/c23-19(24)15-5-2-6-16-17(15)18(21-20-16)14-4-1-3-13(11-14)12-22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,21)(H,23,24)
InChIKeyXGKSLRJIGKZVHS-UHFFFAOYSA-N
XLogP2.76
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazole-4-carboxylic acid
CID 39219895
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
3-[3-(dimethylamino)phenyl]-1H-indazole-4-carboxylic acid
CID 39218620
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-4-amine
CID 39219874
5-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxylic acid
CID 56716837
3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
CID 56857435
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-(morpholin-4-ylmethyl)-3-phenylbenzoic acid
CID 144848835
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545

Frequently Asked Questions

What is the IUPAC name of 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid?
The IUPAC name of 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid (CID 39219778) is 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid.
What is the SMILES notation for 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid?
The canonical SMILES for 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid is O=C(O)c1cccc2[nH]nc(-c3cccc(CN4CCOCC4)c3)c12.
What is the InChIKey of 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid?
The InChIKey is XGKSLRJIGKZVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(24)15-5-2-6-16-17(15)18(21-20-16)14-4-1-3-13(11-14)12-22-7-9-25-10-8-22/h1-6,11H,7-10,12H2,(H,20,21)(H,23,24).
What are the key properties of 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid?
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid is sourced from PubChem (CID 39219778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).