N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide

C23H24FN7O4 — CID 118451483

IUPACN-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(=O)c3ccc(-n4cnnn4)cn3)C(F)C2)ccc2c1COC2=O
InChIInChI=1S/C23H24FN7O4/c1-13-15(3-4-16-17(13)11-35-23(16)34)21(32)10-30-7-6-19(18(24)9-30)27-22(33)20-5-2-14(8-25-20)31-12-26-28-29-31/h2-5,8,12,18-19,21,32H,6-7,9-11H2,1H3,(H,27,33)
InChIKeyLCXOVPMWGRCALU-UHFFFAOYSA-N
MW481.49 g/mol
LogP0.91
Rot. Bonds6

About N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide

N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide (PubChem CID 118451483) has the molecular formula C23H24FN7O4 and a molecular weight of 481.49 g/mol. Its IUPAC name is N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide
PubChem CID118451483
Molecular FormulaC23H24FN7O4
Molecular Weight481.49 g/mol
Exact Mass481.19
IUPAC NameN-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(=O)c3ccc(-n4cnnn4)cn3)C(F)C2)ccc2c1COC2=O
InChIInChI=1S/C23H24FN7O4/c1-13-15(3-4-16-17(13)11-35-23(16)34)21(32)10-30-7-6-19(18(24)9-30)27-22(33)20-5-2-14(8-25-20)31-12-26-28-29-31/h2-5,8,12,18-19,21,32H,6-7,9-11H2,1H3,(H,27,33)
InChIKeyLCXOVPMWGRCALU-UHFFFAOYSA-N
XLogP0.91
TPSA135.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide (CID 118451483) is N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide is Cc1c(C(O)CN2CCC(NC(=O)c3ccc(-n4cnnn4)cn3)C(F)C2)ccc2c1COC2=O.
What is the InChIKey of N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide?
The InChIKey is LCXOVPMWGRCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O4/c1-13-15(3-4-16-17(13)11-35-23(16)34)21(32)10-30-7-6-19(18(24)9-30)27-22(33)20-5-2-14(8-25-20)31-12-26-28-29-31/h2-5,8,12,18-19,21,32H,6-7,9-11H2,1H3,(H,27,33).
What are the key properties of N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide?
N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-[2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]-5-(tetrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118451483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).