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

C26H28FN5O — CID 91952366

IUPAC1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1nn(CCCNC(=O)C2CCN(c3ccnc4ccc(F)cc34)CC2)c2ccccc12
InChIInChI=1S/C26H28FN5O/c1-18-21-5-2-3-6-25(21)32(30-18)14-4-12-29-26(33)19-10-15-31(16-11-19)24-9-13-28-23-8-7-20(27)17-22(23)24/h2-3,5-9,13,17,19H,4,10-12,14-16H2,1H3,(H,29,33)
InChIKeyVCJDMOFLOQTSEL-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.45
Rot. Bonds6

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

1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 91952366) 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-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
PubChem CID91952366
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
SMILESCc1nn(CCCNC(=O)C2CCN(c3ccnc4ccc(F)cc34)CC2)c2ccccc12
InChIInChI=1S/C26H28FN5O/c1-18-21-5-2-3-6-25(21)32(30-18)14-4-12-29-26(33)19-10-15-31(16-11-19)24-9-13-28-23-8-7-20(27)17-22(23)24/h2-3,5-9,13,17,19H,4,10-12,14-16H2,1H3,(H,29,33)
InChIKeyVCJDMOFLOQTSEL-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

N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 91952358
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetic acid
CID 121318145
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl] butanoate
CID 175115794

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide (CID 91952366) is 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide is Cc1nn(CCCNC(=O)C2CCN(c3ccnc4ccc(F)cc34)CC2)c2ccccc12.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is VCJDMOFLOQTSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-18-21-5-2-3-6-25(21)32(30-18)14-4-12-29-26(33)19-10-15-31(16-11-19)24-9-13-28-23-8-7-20(27)17-22(23)24/h2-3,5-9,13,17,19H,4,10-12,14-16H2,1H3,(H,29,33).
What are the key properties of 1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide?
1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-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-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 91952366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).