N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide

C26H21N5O2 — CID 165385281

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C26H21N5O2/c1-3-33-24-12-19(9-10-22(24)18-6-4-5-17(11-18)13-27)26(32)31(2)16-21-8-7-20(14-28)23-15-29-30-25(21)23/h4-12,15H,3,16H2,1-2H3,(H,29,30)
InChIKeyQXAFWBOZDAHHFB-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.64
Rot. Bonds6

About N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide

N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide (PubChem CID 165385281) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
PubChem CID165385281
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1
InChIInChI=1S/C26H21N5O2/c1-3-33-24-12-19(9-10-22(24)18-6-4-5-17(11-18)13-27)26(32)31(2)16-21-8-7-20(14-28)23-15-29-30-25(21)23/h4-12,15H,3,16H2,1-2H3,(H,29,30)
InChIKeyQXAFWBOZDAHHFB-UHFFFAOYSA-N
XLogP4.64
TPSA105.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide (CID 165385281) is N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(C#N)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide?
The InChIKey is QXAFWBOZDAHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-3-33-24-12-19(9-10-22(24)18-6-4-5-17(11-18)13-27)26(32)31(2)16-21-8-7-20(14-28)23-15-29-30-25(21)23/h4-12,15H,3,16H2,1-2H3,(H,29,30).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide has a molecular weight of 435.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide is sourced from PubChem (CID 165385281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).