4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole

C16H12ClF2N3O — CID 175435813

IUPAC4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
SMILESFC(F)Oc1ccc(-c2ccncc2Cl)c2cn(C3CC3)nc12
InChIInChI=1S/C16H12ClF2N3O/c17-13-7-20-6-5-11(13)10-3-4-14(23-16(18)19)15-12(10)8-22(21-15)9-1-2-9/h3-9,16H,1-2H2
InChIKeyZVRNSXMITHHLGA-UHFFFAOYSA-N
MW335.74 g/mol
LogP4.69
Rot. Bonds4

About 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole

4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole (PubChem CID 175435813) has the molecular formula C16H12ClF2N3O and a molecular weight of 335.74 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
PubChem CID175435813
Molecular FormulaC16H12ClF2N3O
Molecular Weight335.74 g/mol
Exact Mass335.06
IUPAC Name4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole
SMILESFC(F)Oc1ccc(-c2ccncc2Cl)c2cn(C3CC3)nc12
InChIInChI=1S/C16H12ClF2N3O/c17-13-7-20-6-5-11(13)10-3-4-14(23-16(18)19)15-12(10)8-22(21-15)9-1-2-9/h3-9,16H,1-2H2
InChIKeyZVRNSXMITHHLGA-UHFFFAOYSA-N
XLogP4.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole (CID 175435813) is 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole is FC(F)Oc1ccc(-c2ccncc2Cl)c2cn(C3CC3)nc12.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
The InChIKey is ZVRNSXMITHHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O/c17-13-7-20-6-5-11(13)10-3-4-14(23-16(18)19)15-12(10)8-22(21-15)9-1-2-9/h3-9,16H,1-2H2.
What are the key properties of 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole?
4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole has a molecular weight of 335.74 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-2-cyclopropyl-7-(difluoromethoxy)indazole is sourced from PubChem (CID 175435813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).