2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole

C20H21N3O2 — CID 175435834

IUPAC2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
SMILESCOc1ccc(N2CC(Oc3ccccc3)C2)c2cn(C3CC3)nc12
InChIInChI=1S/C20H21N3O2/c1-24-19-10-9-18(17-13-23(14-7-8-14)21-20(17)19)22-11-16(12-22)25-15-5-3-2-4-6-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3
InChIKeyDEGHHKAEECVVER-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds5

About 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole

2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole (PubChem CID 175435834) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole.

Molecular Properties

Compound Name2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
PubChem CID175435834
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
SMILESCOc1ccc(N2CC(Oc3ccccc3)C2)c2cn(C3CC3)nc12
InChIInChI=1S/C20H21N3O2/c1-24-19-10-9-18(17-13-23(14-7-8-14)21-20(17)19)22-11-16(12-22)25-15-5-3-2-4-6-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3
InChIKeyDEGHHKAEECVVER-UHFFFAOYSA-N
XLogP3.65
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
CID 71454170
4-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine
CID 175435824
1-(4-Phenoxybutyl)indazole
CID 20425662
N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide
CID 71452391
2-[1-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]azetidin-3-yl]propan-2-ol
CID 177655993
5-Methoxy-2-phenyl-2H-indazole
CID 15526191
1-[(4-fluorophenyl)methyl]-5-[(3S)-pyrrolidin-3-yl]oxyindazole
CID 21098451
5-(2,4-Difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole
CID 57484121
Methyl 2-[5-(2-amino-4-fluorophenoxy)indazol-1-yl]acetate
CID 57552288
1-(2,2-Dimethoxyethyl)-5-(4-fluoro-2-isocyanophenoxy)indazole
CID 57552294
N'-[5-(2,4-difluorophenoxy)-1-isobutyl-1H-indazol-6-yl]-N,N-dimethylpropane-1,3-diamine
CID 57639704
3-(4-fluorophenyl)-3-(7-methoxyindazol-1-yl)-N-methylpropan-1-amine
CID 58088470

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole?
The IUPAC name of 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole (CID 175435834) is 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole.
What is the SMILES notation for 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole?
The canonical SMILES for 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole is COc1ccc(N2CC(Oc3ccccc3)C2)c2cn(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole?
The InChIKey is DEGHHKAEECVVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-19-10-9-18(17-13-23(14-7-8-14)21-20(17)19)22-11-16(12-22)25-15-5-3-2-4-6-15/h2-6,9-10,13-14,16H,7-8,11-12H2,1H3.
What are the key properties of 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole?
2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole has a molecular weight of 335.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole is sourced from PubChem (CID 175435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).