(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid

C18H23N3O4 — CID 175149374

IUPAC(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1O[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c1-12-8-13-10-19-21(17-4-2-3-7-24-17)15(13)9-16(12)25-14-5-6-20(11-14)18(22)23/h8-10,14,17H,2-7,11H2,1H3,(H,22,23)/t14-,17?/m1/s1
InChIKeyVVQSWPQEVOEVEW-XPCCGILXSA-N
MW345.40 g/mol
LogP3.17
Rot. Bonds3

About (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid

(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid (PubChem CID 175149374) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
PubChem CID175149374
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1O[C@@H]1CCN(C(=O)O)C1
InChIInChI=1S/C18H23N3O4/c1-12-8-13-10-19-21(17-4-2-3-7-24-17)15(13)9-16(12)25-14-5-6-20(11-14)18(22)23/h8-10,14,17H,2-7,11H2,1H3,(H,22,23)/t14-,17?/m1/s1
InChIKeyVVQSWPQEVOEVEW-XPCCGILXSA-N
XLogP3.17
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
CID 58135085
tert-butyl 3-(1-iodophosphanyl-5-methylindazol-6-yl)oxypyrrolidine-1-carboxylate
CID 155469029
tert-butyl 3-hydroxy-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486014
tert-butyl 4-[5-amino-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486097
tert-butyl (3S)-3-[6-bromo-3-methyl-1-(oxan-2-yl)indazol-4-yl]oxypyrrolidine-1-carboxylate
CID 140959039
tert-butyl (3S,4R)-4-[5-methyl-1-(oxan-2-yl)indazol-6-yl]-3-(4-nitrobenzoyl)oxypiperidine-1-carboxylate
CID 153284279
1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone
CID 128993625
tert-butyl 3-[[6-bromo-1-(oxan-2-yl)indazol-5-yl]oxymethyl]azetidine-1-carboxylate
CID 162517315
3-[[6-bromo-1-(oxan-2-yl)benzotriazol-4-yl]oxymethyl]pyrrolidine-1-carboxylic acid
CID 137463853
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid (CID 175149374) is (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid is Cc1cc2cnn(C3CCCCO3)c2cc1O[C@@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid?
The InChIKey is VVQSWPQEVOEVEW-XPCCGILXSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-8-13-10-19-21(17-4-2-3-7-24-17)15(13)9-16(12)25-14-5-6-20(11-14)18(22)23/h8-10,14,17H,2-7,11H2,1H3,(H,22,23)/t14-,17?/m1/s1.
What are the key properties of (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid?
(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175149374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).