N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

C23H20ClN3O2 — CID 53007569

IUPACN-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCc4ccccc4Cl)cc32)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-20-7-4-5-16(11-20)15-27-22-12-17(9-10-19(22)14-26-27)23(28)25-13-18-6-2-3-8-21(18)24/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyVRNYHSUNRQTXHF-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.68
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 53007569) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID53007569
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCc4ccccc4Cl)cc32)c1
InChIInChI=1S/C23H20ClN3O2/c1-29-20-7-4-5-16(11-20)15-27-22-12-17(9-10-19(22)14-26-27)23(28)25-13-18-6-2-3-8-21(18)24/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyVRNYHSUNRQTXHF-UHFFFAOYSA-N
XLogP4.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
1-[(3-chlorophenyl)methyl]-N-[(2-methylphenyl)methyl]indazole-6-carboxamide
CID 53084776
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
1-[(4-chlorophenyl)methyl]-N-[(3-ethoxyphenyl)methyl]indazole-6-carboxamide
CID 53034345
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
CID 53034352
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084651

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 53007569) is N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)NCc4ccccc4Cl)cc32)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is VRNYHSUNRQTXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-29-20-7-4-5-16(11-20)15-27-22-12-17(9-10-19(22)14-26-27)23(28)25-13-18-6-2-3-8-21(18)24/h2-12,14H,13,15H2,1H3,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 53007569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).