2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide

C25H27N5O2 — CID 25461195

IUPAC2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C25H27N5O2/c1-25(2)12-22(27-24(31)16-29-15-17-6-4-5-7-21(17)28-29)20-14-26-30(23(20)13-25)18-8-10-19(32-3)11-9-18/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyVGVCLNWERWOOCR-JOCHJYFZSA-N
MW429.52 g/mol
LogP4.06
Rot. Bonds5

About 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide

2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide (PubChem CID 25461195) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide.

Molecular Properties

Compound Name2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
PubChem CID25461195
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide
SMILESCOc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2cc3ccccc3n2)cc1
InChIInChI=1S/C25H27N5O2/c1-25(2)12-22(27-24(31)16-29-15-17-6-4-5-7-21(17)28-29)20-14-26-30(23(20)13-25)18-8-10-19(32-3)11-9-18/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,27,31)/t22-/m1/s1
InChIKeyVGVCLNWERWOOCR-JOCHJYFZSA-N
XLogP4.06
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The IUPAC name of 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide (CID 25461195) is 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide.
What is the SMILES notation for 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The canonical SMILES for 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide is COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)Cn2cc3ccccc3n2)cc1.
What is the InChIKey of 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
The InChIKey is VGVCLNWERWOOCR-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-25(2)12-22(27-24(31)16-29-15-17-6-4-5-7-21(17)28-29)20-14-26-30(23(20)13-25)18-8-10-19(32-3)11-9-18/h4-11,14-15,22H,12-13,16H2,1-3H3,(H,27,31)/t22-/m1/s1.
What are the key properties of 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide?
2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-N-[(4R)-1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]acetamide is sourced from PubChem (CID 25461195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).