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

C25H21FN4O2 — CID 165385141

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H21FN4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22/h4-12,14H,3,15H2,1-2H3,(H,28,29)
InChIKeyRGATYQCPENIAHS-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.91
Rot. Bonds6

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

N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385141) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385141
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C25H21FN4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22/h4-12,14H,3,15H2,1-2H3,(H,28,29)
InChIKeyRGATYQCPENIAHS-UHFFFAOYSA-N
XLogP4.91
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(1H-indazole-7-carbonyl)-6,7-dimethylspiro[chroman-2,4'-piperidin]-4-one
CID 24957986
2,2,2-trifluoro-1-[4-[7-(1H-indazol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59604531
1-(4-{[7-(1H-indazol-6-yl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]carbonyl}-phenyl)ethanone
CID 59605039
2,2,2-trifluoro-1-[4-[7-(1H-indazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]phenyl]ethanone
CID 59605139
N-(2-hydroxyethyl)-3-methoxy-4-[6-(trifluoromethyl)-1H-indazol-4-yl]benzamide
CID 89782850
3-methoxy-N-methyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)benzamide
CID 89783377
N-[3-(1H-indazol-6-yl)-4-methoxyphenyl]-3-(trifluoromethyl)benzamide
CID 155536159
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]isoquinolin-1-one
CID 156014825
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 156018656
6-(1H-indazol-5-yl)-2-[(3-methoxyphenyl)methyl]phthalazin-1-one
CID 156019268
8-(1H-indazol-5-yl)-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 164612314
8-(1H-indazol-5-yl)-4-[(3-methoxyphenyl)methyl]-2,2-dimethyl-3H-1,4-benzoxazepin-5-one
CID 164615740

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385141) is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C#N)c3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is RGATYQCPENIAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-3-32-23-12-17(9-10-21(23)16-5-4-6-20(26)11-16)25(31)30(2)15-19-8-7-18(13-27)22-14-28-29-24(19)22/h4-12,14H,3,15H2,1-2H3,(H,28,29).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 428.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).