3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile

C24H19F2N3O2 — CID 68907479

IUPAC3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(OC(F)F)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)31-19-8-7-16-12-18(6-5-17(16)13-19)23-20-11-15(14-27)4-9-21(20)29(28-23)22-3-1-2-10-30-22/h4-9,11-13,22,24H,1-3,10H2
InChIKeyOANFSFFOHBZPHX-UHFFFAOYSA-N
MW419.43 g/mol
LogP6.03
Rot. Bonds4

About 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile

3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile (PubChem CID 68907479) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile.

Molecular Properties

Compound Name3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
PubChem CID68907479
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(-c1ccc3cc(OC(F)F)ccc3c1)nn2C1CCCCO1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)31-19-8-7-16-12-18(6-5-17(16)13-19)23-20-11-15(14-27)4-9-21(20)29(28-23)22-3-1-2-10-30-22/h4-9,11-13,22,24H,1-3,10H2
InChIKeyOANFSFFOHBZPHX-UHFFFAOYSA-N
XLogP6.03
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?
The IUPAC name of 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile (CID 68907479) is 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile.
What is the SMILES notation for 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?
The canonical SMILES for 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile is N#Cc1ccc2c(c1)c(-c1ccc3cc(OC(F)F)ccc3c1)nn2C1CCCCO1.
What is the InChIKey of 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?
The InChIKey is OANFSFFOHBZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)31-19-8-7-16-12-18(6-5-17(16)13-19)23-20-11-15(14-27)4-9-21(20)29(28-23)22-3-1-2-10-30-22/h4-9,11-13,22,24H,1-3,10H2.
What are the key properties of 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile?
3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile has a molecular weight of 419.43 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethoxy)naphthalen-2-yl]-1-(oxan-2-yl)indazole-5-carbonitrile is sourced from PubChem (CID 68907479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).