1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide

C22H27N3O2 — CID 95073139

IUPAC1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)CC(C)C)cc32)c1
InChIInChI=1S/C22H27N3O2/c1-15(2)10-16(3)24-22(26)18-8-9-19-13-23-25(21(19)12-18)14-17-6-5-7-20(11-17)27-4/h5-9,11-13,15-16H,10,14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyYPVKHFUFRQIWTC-MRXNPFEDSA-N
MW365.48 g/mol
LogP4.26
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide

1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide (PubChem CID 95073139) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
PubChem CID95073139
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)CC(C)C)cc32)c1
InChIInChI=1S/C22H27N3O2/c1-15(2)10-16(3)24-22(26)18-8-9-19-13-23-25(21(19)12-18)14-17-6-5-7-20(11-17)27-4/h5-9,11-13,15-16H,10,14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyYPVKHFUFRQIWTC-MRXNPFEDSA-N
XLogP4.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073131
1-[(3-chlorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]indazole-6-carboxamide
CID 95073206
N-[(3-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53034360
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
CID 53034352
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 86941781
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
1-[(4-fluorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]indazole-6-carboxamide
CID 95073148

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide (CID 95073139) is 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)N[C@H](C)CC(C)C)cc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide?
The InChIKey is YPVKHFUFRQIWTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)10-16(3)24-22(26)18-8-9-19-13-23-25(21(19)12-18)14-17-6-5-7-20(11-17)27-4/h5-9,11-13,15-16H,10,14H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide is sourced from PubChem (CID 95073139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).