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

C21H23N3O3 — CID 53034352

IUPAC1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCC4CCCO4)cc32)c1
InChIInChI=1S/C21H23N3O3/c1-26-18-5-2-4-15(10-18)14-24-20-11-16(7-8-17(20)12-23-24)21(25)22-13-19-6-3-9-27-19/h2,4-5,7-8,10-12,19H,3,6,9,13-14H2,1H3,(H,22,25)
InChIKeyMZLSFNVWBBPREI-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.00
Rot. Bonds6

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

1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide (PubChem CID 53034352) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
PubChem CID53034352
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide
SMILESCOc1cccc(Cn2ncc3ccc(C(=O)NCC4CCCO4)cc32)c1
InChIInChI=1S/C21H23N3O3/c1-26-18-5-2-4-15(10-18)14-24-20-11-16(7-8-17(20)12-23-24)21(25)22-13-19-6-3-9-27-19/h2,4-5,7-8,10-12,19H,3,6,9,13-14H2,1H3,(H,22,25)
InChIKeyMZLSFNVWBBPREI-UHFFFAOYSA-N
XLogP3.00
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95056034
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073124
1-[(3-methoxyphenyl)methyl]-N-[(2R)-4-methylpentan-2-yl]indazole-6-carboxamide
CID 95073139
N-[(2-chlorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 53007569
1-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)indazole-6-carboxamide
CID 53084634
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]indazole-6-carboxamide
CID 95073129
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033
1-[(3-methoxyphenyl)methyl]-3-(oxolan-2-ylmethyl)urea
CID 47133588
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 27518750
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide (CID 53034352) is 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide is COc1cccc(Cn2ncc3ccc(C(=O)NCC4CCCO4)cc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide?
The InChIKey is MZLSFNVWBBPREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-26-18-5-2-4-15(10-18)14-24-20-11-16(7-8-17(20)12-23-24)21(25)22-13-19-6-3-9-27-19/h2,4-5,7-8,10-12,19H,3,6,9,13-14H2,1H3,(H,22,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)indazole-6-carboxamide is sourced from PubChem (CID 53034352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).