N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide

C23H18N4O2 — CID 168877285

IUPACN-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2ccc3cn[nH]c3c2C#N)cc1
InChIInChI=1S/C23H18N4O2/c1-29-21-5-3-2-4-19(21)23(28)25-13-15-6-8-16(9-7-15)18-11-10-17-14-26-27-22(17)20(18)12-24/h2-11,14H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyBDUUUYBZENHAKV-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.04
Rot. Bonds5

About N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide

N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide (PubChem CID 168877285) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
PubChem CID168877285
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2ccc3cn[nH]c3c2C#N)cc1
InChIInChI=1S/C23H18N4O2/c1-29-21-5-3-2-4-19(21)23(28)25-13-15-6-8-16(9-7-15)18-11-10-17-14-26-27-22(17)20(18)12-24/h2-11,14H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyBDUUUYBZENHAKV-UHFFFAOYSA-N
XLogP4.04
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
N-[[4-(5-amino-4-cyano-1-pyridin-3-ylpyrazol-3-yl)phenyl]methyl]-2-methoxybenzamide
CID 137358821
N-[[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358824
N-[[4-[5-amino-4-cyano-1-(2,3-dihydro-1H-inden-2-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358783
N-[[4-[5-amino-4-cyano-1-(2-pyridin-3-ylethyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358782
N-[[4-[5-amino-4-cyano-1-(2,3-difluorophenyl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358797
N-(4-cyano-1H-pyrazol-5-yl)-2-methoxybenzamide
CID 79503659
N-[[4-[4-cyano-5-(methylamino)-1-(oxan-4-yl)pyrazol-3-yl]phenyl]methyl]-2-methoxybenzamide
CID 137358456
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-4-[(2-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 162647906
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
[4-(2-cyanophenyl)phenyl]methyl 2-[(2-methoxybenzoyl)amino]acetate
CID 31119853
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049

Frequently Asked Questions

What is the IUPAC name of N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide (CID 168877285) is N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(-c2ccc3cn[nH]c3c2C#N)cc1.
What is the InChIKey of N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide?
The InChIKey is BDUUUYBZENHAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-29-21-5-3-2-4-19(21)23(28)25-13-15-6-8-16(9-7-15)18-11-10-17-14-26-27-22(17)20(18)12-24/h2-11,14H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide?
N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide has a molecular weight of 382.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7-cyano-1H-indazol-6-yl)phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 168877285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).