(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H25N3O2 — CID 125178880

IUPAC(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)CC(C)(C)O4)c2C1
InChIInChI=1S/C20H25N3O2/c1-12-4-6-16-15(8-12)18(23-22-16)19(24)21-11-13-5-7-17-14(9-13)10-20(2,3)25-17/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyJEDPKHQLACQVIV-LBPRGKRZSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds3

About (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 125178880) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID125178880
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)CC(C)(C)O4)c2C1
InChIInChI=1S/C20H25N3O2/c1-12-4-6-16-15(8-12)18(23-22-16)19(24)21-11-13-5-7-17-14(9-13)10-20(2,3)25-17/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1
InChIKeyJEDPKHQLACQVIV-LBPRGKRZSA-N
XLogP3.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
CID 118775296
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
CID 56912716
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167876917
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64743242
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
6-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-N-[(1R)-5-(2H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 58686568
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylpropan-2-amine
CID 63270797
2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-N,N-diethylacetamide
CID 115614318
N,5-dimethyl-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46961739
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 137150690

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 125178880) is (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is C[C@H]1CCc2[nH]nc(C(=O)NCc3ccc4c(c3)CC(C)(C)O4)c2C1.
What is the InChIKey of (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is JEDPKHQLACQVIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12-4-6-16-15(8-12)18(23-22-16)19(24)21-11-13-5-7-17-14(9-13)10-20(2,3)25-17/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,21,24)(H,22,23)/t12-/m0/s1.
What are the key properties of (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 125178880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).