6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid

C25H28N4O5 — CID 146627034

IUPAC6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3c(C(=O)O)nn(C)c3c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O5/c1-4-29(18-6-8-19(34-3)9-7-18)25(33)28-13-11-16(12-14-28)23(30)17-5-10-20-21(15-17)27(2)26-22(20)24(31)32/h5-10,15-16H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyZBYOHASAEQTYGT-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.82
Rot. Bonds6

About 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid

6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid (PubChem CID 146627034) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid
PubChem CID146627034
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3c(C(=O)O)nn(C)c3c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C25H28N4O5/c1-4-29(18-6-8-19(34-3)9-7-18)25(33)28-13-11-16(12-14-28)23(30)17-5-10-20-21(15-17)27(2)26-22(20)24(31)32/h5-10,15-16H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyZBYOHASAEQTYGT-UHFFFAOYSA-N
XLogP3.82
TPSA104.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
CID 146627093
6-[1-[Ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
CID 146663928
N,2-diethyl-3-methoxy-N-(4-methoxyphenyl)indazole-6-carboxamide
CID 11958438
1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylic acid
CID 17859444
1-[2-(4-Methoxyphenyl)ethyl]indazole-3-carboxylic acid
CID 172435601
4-[(1S)-1-[[2-[(3-methoxyphenyl)methyl]indazole-3-carbonyl]amino]ethyl]benzoic acid
CID 172440736
4-[[[1-[(4-Methoxyphenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
CID 172453340
4-[[[2-[(3-Methoxyphenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
CID 172466489
4-[[[2-[(4-Methoxyphenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
CID 172466722
4-[[[1-[(3-Methoxyphenyl)methyl]indazole-3-carbonyl]amino]methyl]benzoic acid
CID 172469762
1-(4-Methoxyphenyl)indazole-3-carboxylic acid
CID 139220423
1-[[4-(Difluoromethoxy)phenyl]methyl]indazole-3,6-dicarboxylic acid
CID 91565147

Frequently Asked Questions

What is the IUPAC name of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid?
The IUPAC name of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid (CID 146627034) is 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid.
What is the SMILES notation for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid?
The canonical SMILES for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid is CCN(C(=O)N1CCC(C(=O)c2ccc3c(C(=O)O)nn(C)c3c2)CC1)c1ccc(OC)cc1.
What is the InChIKey of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid?
The InChIKey is ZBYOHASAEQTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-4-29(18-6-8-19(34-3)9-7-18)25(33)28-13-11-16(12-14-28)23(30)17-5-10-20-21(15-17)27(2)26-22(20)24(31)32/h5-10,15-16H,4,11-14H2,1-3H3,(H,31,32).
What are the key properties of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid?
6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid has a molecular weight of 464.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindazole-3-carboxylic acid is sourced from PubChem (CID 146627034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).