1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide

C26H28FN5O — CID 91952225

IUPAC1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C1CCCN(c2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C26H28FN5O/c1-18-5-2-7-25-22(18)16-30-32(25)14-4-11-29-26(33)19-6-3-13-31(17-19)24-10-12-28-23-9-8-20(27)15-21(23)24/h2,5,7-10,12,15-16,19H,3-4,6,11,13-14,17H2,1H3,(H,29,33)
InChIKeyAFQATAIXHDFIGA-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.45
Rot. Bonds6

About 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide

1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 91952225) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID91952225
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1cccc2c1cnn2CCCNC(=O)C1CCCN(c2ccnc3ccc(F)cc23)C1
InChIInChI=1S/C26H28FN5O/c1-18-5-2-7-25-22(18)16-30-32(25)14-4-11-29-26(33)19-6-3-13-31(17-19)24-10-12-28-23-9-8-20(27)15-21(23)24/h2,5,7-10,12,15-16,19H,3-4,6,11,13-14,17H2,1H3,(H,29,33)
InChIKeyAFQATAIXHDFIGA-UHFFFAOYSA-N
XLogP4.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
CID 91952255
1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide
CID 91952242
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 91952178
N-butyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107070
1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 90520957

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide (CID 91952225) is 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide is Cc1cccc2c1cnn2CCCNC(=O)C1CCCN(c2ccnc3ccc(F)cc23)C1.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is AFQATAIXHDFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-18-5-2-7-25-22(18)16-30-32(25)14-4-11-29-26(33)19-6-3-13-31(17-19)24-10-12-28-23-9-8-20(27)15-21(23)24/h2,5,7-10,12,15-16,19H,3-4,6,11,13-14,17H2,1H3,(H,29,33).
What are the key properties of 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide?
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 91952225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).