1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide

C24H29FN4O — CID 53012805

IUPAC1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)C1
InChIInChI=1S/C24H29FN4O/c1-18-4-2-12-28(16-18)13-3-11-26-24(30)20-7-8-21-15-27-29(23(21)14-20)17-19-5-9-22(25)10-6-19/h5-10,14-15,18H,2-4,11-13,16-17H2,1H3,(H,26,30)
InChIKeyMOXIWTLECXZHBU-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.08
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide

1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide (PubChem CID 53012805) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
PubChem CID53012805
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide
SMILESCC1CCCN(CCCNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)C1
InChIInChI=1S/C24H29FN4O/c1-18-4-2-12-28(16-18)13-3-11-26-24(30)20-7-8-21-15-27-29(23(21)14-20)17-19-5-9-22(25)10-6-19/h5-10,14-15,18H,2-4,11-13,16-17H2,1H3,(H,26,30)
InChIKeyMOXIWTLECXZHBU-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022373
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
9-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 20866087
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 92869686
2-(4-fluorophenyl)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94115488
1-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)indazole-6-carboxamide
CID 53012821

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide (CID 53012805) is 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide is CC1CCCN(CCCNC(=O)c2ccc3cnn(Cc4ccc(F)cc4)c3c2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide?
The InChIKey is MOXIWTLECXZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-18-4-2-12-28(16-18)13-3-11-26-24(30)20-7-8-21-15-27-29(23(21)14-20)17-19-5-9-22(25)10-6-19/h5-10,14-15,18H,2-4,11-13,16-17H2,1H3,(H,26,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]indazole-6-carboxamide is sourced from PubChem (CID 53012805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).