3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid

C21H24N4O3 — CID 66716346

IUPAC3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2ncc3cc(NC4CCCN(C(=O)O)C4)ccc32)cc1
InChIInChI=1S/C21H24N4O3/c1-28-19-7-4-15(5-8-19)13-25-20-9-6-17(11-16(20)12-22-25)23-18-3-2-10-24(14-18)21(26)27/h4-9,11-12,18,23H,2-3,10,13-14H2,1H3,(H,26,27)
InChIKeyZCLQMDNXHYHXMG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.65
Rot. Bonds5

About 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid

3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid (PubChem CID 66716346) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
PubChem CID66716346
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
SMILESCOc1ccc(Cn2ncc3cc(NC4CCCN(C(=O)O)C4)ccc32)cc1
InChIInChI=1S/C21H24N4O3/c1-28-19-7-4-15(5-8-19)13-25-20-9-6-17(11-16(20)12-22-25)23-18-3-2-10-24(14-18)21(26)27/h4-9,11-12,18,23H,2-3,10,13-14H2,1H3,(H,26,27)
InChIKeyZCLQMDNXHYHXMG-UHFFFAOYSA-N
XLogP3.65
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
CID 135242208
3-[[1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylic acid
CID 66759782
tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
CID 70979242
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
(3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[3-(5-methyl-1,3-thiazol-2-yl)phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylic acid
CID 118623534
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
3-(3-chlorophenyl)-1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 42240911
3-(3-chlorophenyl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 24790178
1-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylic acid
CID 175377648
(3R)-3-[[1-[(4-methoxyphenyl)methyl]-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenoxy]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylic acid
CID 118623301

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid (CID 66716346) is 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid is COc1ccc(Cn2ncc3cc(NC4CCCN(C(=O)O)C4)ccc32)cc1.
What is the InChIKey of 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is ZCLQMDNXHYHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-19-7-4-15(5-8-19)13-25-20-9-6-17(11-16(20)12-22-25)23-18-3-2-10-24(14-18)21(26)27/h4-9,11-12,18,23H,2-3,10,13-14H2,1H3,(H,26,27).
What are the key properties of 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid?
3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 380.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 66716346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).