N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide

C20H21N3O2 — CID 26333048

IUPACN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyLTHKNFTVTRNKJO-KRWDZBQOSA-N
MW335.41 g/mol
LogP3.91
Rot. Bonds3

About N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide

N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide (PubChem CID 26333048) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
PubChem CID26333048
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1
InChIInChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyLTHKNFTVTRNKJO-KRWDZBQOSA-N
XLogP3.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-imidazol-1-ylbenzamide
CID 26396897
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 42415043
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 45169114
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 45189876
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-pyrazin-2-ylpropanamide
CID 45253119
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
The IUPAC name of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide (CID 26333048) is N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide is CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](NC(=O)c2ccoc2)C1.
What is the InChIKey of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
The InChIKey is LTHKNFTVTRNKJO-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2)10-17(22-19(24)14-8-9-25-13-14)16-12-21-23(18(16)11-20)15-6-4-3-5-7-15/h3-9,12-13,17H,10-11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide?
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide is sourced from PubChem (CID 26333048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).