N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide

C21H16F2N4O2 — CID 24954489

IUPACN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C21H16F2N4O2/c22-21(23)29-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)25-20(28)15-9-11-24-12-10-15/h1-12,21H,13H2,(H,25,26,28)
InChIKeyVBYOFDAAEFFTMW-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide

N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide (PubChem CID 24954489) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
PubChem CID24954489
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccncc1
InChIInChI=1S/C21H16F2N4O2/c22-21(23)29-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)25-20(28)15-9-11-24-12-10-15/h1-12,21H,13H2,(H,25,26,28)
InChIKeyVBYOFDAAEFFTMW-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]-3-methoxybenzamide
CID 24954488
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-benzyl-1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoroindazole-3-carboxamide
CID 141202072
N-(2,4-dichlorophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984504
N-(4-cyanophenyl)sulfonyl-1-[[4-(difluoromethoxy)phenyl]methyl]indazole-3-carboxamide
CID 166984505
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19347230
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19409145

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide (CID 24954489) is N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide is O=C(Nc1nn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccncc1.
What is the InChIKey of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide?
The InChIKey is VBYOFDAAEFFTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c22-21(23)29-16-7-5-14(6-8-16)13-27-18-4-2-1-3-17(18)19(26-27)25-20(28)15-9-11-24-12-10-15/h1-12,21H,13H2,(H,25,26,28).
What are the key properties of N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide?
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 24954489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).