N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

C20H23N3O2 — CID 95056034

IUPACN-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2cnn(Cc3cccc(OC)c3)c2c1
InChIInChI=1S/C20H23N3O2/c1-4-14(2)22-20(24)16-8-9-17-12-21-23(19(17)11-16)13-15-6-5-7-18(10-15)25-3/h5-12,14H,4,13H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDXYXFYYEFCVBHD-AWEZNQCLSA-N
MW337.42 g/mol
LogP3.62
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide

N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 95056034) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID95056034
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc2cnn(Cc3cccc(OC)c3)c2c1
InChIInChI=1S/C20H23N3O2/c1-4-14(2)22-20(24)16-8-9-17-12-21-23(19(17)11-16)13-15-6-5-7-18(10-15)25-3/h5-12,14H,4,13H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyDXYXFYYEFCVBHD-AWEZNQCLSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
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-(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
N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53084655
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 86941781
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-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide (CID 95056034) is N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is CC[C@H](C)NC(=O)c1ccc2cnn(Cc3cccc(OC)c3)c2c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is DXYXFYYEFCVBHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-14(2)22-20(24)16-8-9-17-12-21-23(19(17)11-16)13-15-6-5-7-18(10-15)25-3/h5-12,14H,4,13H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide?
N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 95056034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).