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

C26H21FN4O2 — CID 165385244

IUPACN-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C26H21FN4O2/c1-31(15-19-6-5-18(13-28)23-14-29-30-25(19)23)26(32)17-7-10-22(16-3-2-4-20(27)11-16)24(12-17)33-21-8-9-21/h2-7,10-12,14,21H,8-9,15H2,1H3,(H,29,30)
InChIKeyQYAZAMHGUZDCRP-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.05
Rot. Bonds6

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

N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide (PubChem CID 165385244) has the molecular formula C26H21FN4O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
PubChem CID165385244
Molecular FormulaC26H21FN4O2
Molecular Weight440.48 g/mol
Exact Mass440.16
IUPAC NameN-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
SMILESCN(Cc1ccc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1
InChIInChI=1S/C26H21FN4O2/c1-31(15-19-6-5-18(13-28)23-14-29-30-25(19)23)26(32)17-7-10-22(16-3-2-4-20(27)11-16)24(12-17)33-21-8-9-21/h2-7,10-12,14,21H,8-9,15H2,1H3,(H,29,30)
InChIKeyQYAZAMHGUZDCRP-UHFFFAOYSA-N
XLogP5.05
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385094
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385394
N-[(4-cyano-1H-indazol-7-yl)methyl]-4-(3-cyanophenyl)-3-ethoxy-N-methylbenzamide
CID 165385281
6-(3-cyanophenyl)-5-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methylpyridine-3-carboxamide
CID 165385100
N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
CID 165385194
N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)benzamide
CID 165385026
3-cyclopropyloxy-4-(3-fluoro-5-methylphenyl)-N-[(5-hydroxy-4-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl)methyl]-N-methylbenzamide
CID 169119594
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
3-cyclopropyloxy-N-[(1S)-1-(4-ethyl-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-hydroxyethyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 177286934
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
CID 165385111
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
The IUPAC name of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide (CID 165385244) is N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
The canonical SMILES for N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide is CN(Cc1ccc(C#N)c2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CC2)c1.
What is the InChIKey of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
The InChIKey is QYAZAMHGUZDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O2/c1-31(15-19-6-5-18(13-28)23-14-29-30-25(19)23)26(32)17-7-10-22(16-3-2-4-20(27)11-16)24(12-17)33-21-8-9-21/h2-7,10-12,14,21H,8-9,15H2,1H3,(H,29,30).
What are the key properties of N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide?
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide has a molecular weight of 440.48 g/mol, XLogP of 5.05, 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-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 165385244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).