N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide

C21H18FN3O2 — CID 118466751

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C21H18FN3O2/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyPYTPRJKZCVIUBH-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.71
Rot. Bonds5

About N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 118466751) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
PubChem CID118466751
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12
InChIInChI=1S/C21H18FN3O2/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26)
InChIKeyPYTPRJKZCVIUBH-UHFFFAOYSA-N
XLogP4.71
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126603643
3-chloro-N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 118466718
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide
CID 118466719
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-2-(trifluoromethoxy)benzamide
CID 126603628
2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118335413
4,5-dimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
CID 118326010
N-[1-[[6-(fluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
CID 129203011
N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-oxazole-5-carboxamide
CID 118335401
N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-methyl-1,3-oxazol-3-ium-4-carboxamide
CID 123635821
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]-2-methylfuran-3-carboxamide
CID 129202997
N-[4-chloro-1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118466724
N-[1-[[4-(difluoromethoxy)phenyl]methyl]indazol-3-yl]pyridine-4-carboxamide
CID 24954489

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide (CID 118466751) is N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2ccccc12.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is PYTPRJKZCVIUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14-10-11-27-19(14)21(26)23-20-17-4-2-3-5-18(17)25(24-20)13-16-8-6-15(12-22)7-9-16/h2-11H,12-13H2,1H3,(H,23,24,26).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]indazol-3-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 118466751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).