N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide

C22H25N3O2 — CID 25461233

IUPACN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)15-9-11-16(12-10-15)25-19-7-4-6-18(17(19)14-23-25)24-21(26)20-8-5-13-27-20/h5,8-14,18H,4,6-7H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyVDHGQTFGMGQSLR-GOSISDBHSA-N
MW363.46 g/mol
LogP4.57
Rot. Bonds3

About N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide

N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide (PubChem CID 25461233) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
PubChem CID25461233
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)15-9-11-16(12-10-15)25-19-7-4-6-18(17(19)14-23-25)24-21(26)20-8-5-13-27-20/h5,8-14,18H,4,6-7H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyVDHGQTFGMGQSLR-GOSISDBHSA-N
XLogP4.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxy-2-methylpropanamide
CID 45191398
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243752
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-3-enamide
CID 42243753
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]but-2-ynamide
CID 45224994
3-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]benzamide
CID 24790169
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 45179254
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 26321264
2-acetamido-N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 23723477
N-[(4S)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97119737
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-methylsulfanylpropanamide
CID 45207838
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 45171550
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45182228

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide (CID 25461233) is N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide is CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide?
The InChIKey is VDHGQTFGMGQSLR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)15-9-11-16(12-10-15)25-19-7-4-6-18(17(19)14-23-25)24-21(26)20-8-5-13-27-20/h5,8-14,18H,4,6-7H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide?
N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 25461233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).