N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide

C19H18FN3O3 — CID 92598354

IUPACN-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-15-3-2-4-16-14(15)11-21-23(16)13-7-5-12(20)6-8-13/h5-11,15H,2-4H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyUORNZKFZMWRKNL-OAHLLOKOSA-N
MW355.37 g/mol
LogP3.42
Rot. Bonds4

About N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide

N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (PubChem CID 92598354) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
PubChem CID92598354
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC NameN-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-15-3-2-4-16-14(15)11-21-23(16)13-7-5-12(20)6-8-13/h5-11,15H,2-4H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyUORNZKFZMWRKNL-OAHLLOKOSA-N
XLogP3.42
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 51494543
N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 51494498
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 25461233
5-(methoxymethyl)-N-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
CID 42095333
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrazole-4-carboxamide
CID 55601993
(3R)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 51494514
N-[(4R)-1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 42094250
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxybenzamide
CID 97140880
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264
methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxy-2-methylpropanamide
CID 45191398
N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 72864626

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The IUPAC name of N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide (CID 92598354) is N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is COc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2)o1.
What is the InChIKey of N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
The InChIKey is UORNZKFZMWRKNL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-25-18-10-9-17(26-18)19(24)22-15-3-2-4-16-14(15)11-21-23(16)13-7-5-12(20)6-8-13/h5-11,15H,2-4H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide?
N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide is sourced from PubChem (CID 92598354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).