7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

C17H21N3O3 — CID 90128431

IUPAC7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C17H21N3O3/c21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h9-12H,1-8H2,(H,21,22)
InChIKeyFQDLSQMLTWTXMR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.94
Rot. Bonds5

About 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid

7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (PubChem CID 90128431) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
PubChem CID90128431
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C17H21N3O3/c21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h9-12H,1-8H2,(H,21,22)
InChIKeyFQDLSQMLTWTXMR-UHFFFAOYSA-N
XLogP1.94
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid;methyl 4-amino-3-bromo-5-methylbenzoate;methyl 4-amino-3-methylbenzoate;methyl 7-bromo-1H-isoindole-5-carboxylate;methyl 7-bromo-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate;methyl 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
CID 161467565
lithium 1-(2-morpholin-4-ylethyl)indazole-5-carboxylate
CID 164526522
2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethane
CID 144829094
3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid
CID 90128383
4-methoxy-1-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 117233224
5-chloro-1-(2-morpholin-4-ylethyl)pyrazol-4-ol
CID 117233213
2-(2-amino-5-phenylphenyl)-1-[7-cyclopropyl-1-(2-morpholin-4-ylethyl)indol-5-yl]ethanone
CID 152898842
1-(2-morpholin-4-ylethyl)indazol-5-amine
CID 57416135
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)indazole-5-carboxamide
CID 90116038
2-(2-amino-5-phenylphenyl)-1-[1-(2-morpholin-4-ylethyl)indazol-5-yl]ethanone
CID 149000250
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The IUPAC name of 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid (CID 90128431) is 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is O=C(O)c1cc(C2CC2)c2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
The InChIKey is FQDLSQMLTWTXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(22)13-9-14-11-18-20(4-3-19-5-7-23-8-6-19)16(14)15(10-13)12-1-2-12/h9-12H,1-8H2,(H,21,22).
What are the key properties of 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid?
7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-morpholin-4-ylethyl)indazole-5-carboxylic acid is sourced from PubChem (CID 90128431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).