N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide

C27H30N4O — CID 24953915

IUPACN-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2cn(CCC(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C27H30N4O/c1-30(2)18-16-28-27(32)23-13-14-24-20-31(29-26(24)19-23)17-15-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,25H,15-18H2,1-2H3,(H,28,32)
InChIKeyLIIYNMBHHZQLNT-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.55
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide

N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide (PubChem CID 24953915) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide
PubChem CID24953915
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2cn(CCC(c3ccccc3)c3ccccc3)nc2c1
InChIInChI=1S/C27H30N4O/c1-30(2)18-16-28-27(32)23-13-14-24-20-31(29-26(24)19-23)17-15-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,25H,15-18H2,1-2H3,(H,28,32)
InChIKeyLIIYNMBHHZQLNT-UHFFFAOYSA-N
XLogP4.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide (CID 24953915) is N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide is CN(C)CCNC(=O)c1ccc2cn(CCC(c3ccccc3)c3ccccc3)nc2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide?
The InChIKey is LIIYNMBHHZQLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-30(2)18-16-28-27(32)23-13-14-24-20-31(29-26(24)19-23)17-15-25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19-20,25H,15-18H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide is sourced from PubChem (CID 24953915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).