4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine

C15H17F2N3O2 — CID 175435824

IUPAC4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine
SMILESFC(F)Oc1ccc(N2CCOCC2)c2cn(C3CC3)nc12
InChIInChI=1S/C15H17F2N3O2/c16-15(17)22-13-4-3-12(19-5-7-21-8-6-19)11-9-20(10-1-2-10)18-14(11)13/h3-4,9-10,15H,1-2,5-8H2
InChIKeyPIDMEAAOXMFREV-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.81
Rot. Bonds4

About 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine

4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine (PubChem CID 175435824) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine
PubChem CID175435824
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine
SMILESFC(F)Oc1ccc(N2CCOCC2)c2cn(C3CC3)nc12
InChIInChI=1S/C15H17F2N3O2/c16-15(17)22-13-4-3-12(19-5-7-21-8-6-19)11-9-20(10-1-2-10)18-14(11)13/h3-4,9-10,15H,1-2,5-8H2
InChIKeyPIDMEAAOXMFREV-UHFFFAOYSA-N
XLogP2.81
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.81
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

2-Cyclopropyl-7-(difluoromethoxy)-4-(2-methoxy-4-pyridinyl)indazole
CID 175435811
2-Cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
CID 175435814
2-Cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
CID 175435828
2-Cyclopropyl-7-(difluoromethoxy)-4-(3-fluoro-4-pyridinyl)indazole
CID 175435831
2-Cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
CID 175435834
2-[1-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]azetidin-3-yl]propan-2-ol
CID 177655993
5-(2,4-Difluorophenoxy)-1-(2-methylpropyl)-6-piperidin-1-ylindazole
CID 57484121
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
3-fluoro-4-[6-[(2R)-2-methylmorpholin-4-yl]-2-(oxan-2-yl)indazol-5-yl]oxyaniline
CID 66766864
3-Fluoro-4-(6-(2-methylmorpholino)-2-(tetrahydro-2h-pyran-2-yl)-2h-indazol-5-yloxy)aniline
CID 66766865

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine?
The IUPAC name of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine (CID 175435824) is 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine.
What is the SMILES notation for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine?
The canonical SMILES for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine is FC(F)Oc1ccc(N2CCOCC2)c2cn(C3CC3)nc12.
What is the InChIKey of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine?
The InChIKey is PIDMEAAOXMFREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-15(17)22-13-4-3-12(19-5-7-21-8-6-19)11-9-20(10-1-2-10)18-14(11)13/h3-4,9-10,15H,1-2,5-8H2.
What are the key properties of 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine?
4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine has a molecular weight of 309.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]morpholine is sourced from PubChem (CID 175435824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).