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-3-carboxamide

C23H24FN7O4 — CID 118451526

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-3-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(=O)c3cncc(-n4cnnn4)c3)C(F)C2)ccc2c1COC2=O
InChIInChI=1S/C23H24FN7O4/c1-13-16(2-3-17-18(13)11-35-23(17)34)21(32)10-30-5-4-20(19(24)9-30)27-22(33)14-6-15(8-25-7-14)31-12-26-28-29-31/h2-3,6-8,12,19-21,32H,4-5,9-11H2,1H3,(H,27,33)
InChIKeyCWAKXTPOENUBMA-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-3-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-3-carboxamide (PubChem CID 118451526) 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-3-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-3-carboxamide
PubChem CID118451526
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-3-carboxamide
SMILESCc1c(C(O)CN2CCC(NC(=O)c3cncc(-n4cnnn4)c3)C(F)C2)ccc2c1COC2=O
InChIInChI=1S/C23H24FN7O4/c1-13-16(2-3-17-18(13)11-35-23(17)34)21(32)10-30-5-4-20(19(24)9-30)27-22(33)14-6-15(8-25-7-14)31-12-26-28-29-31/h2-3,6-8,12,19-21,32H,4-5,9-11H2,1H3,(H,27,33)
InChIKeyCWAKXTPOENUBMA-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-3-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-3-carboxamide (CID 118451526) 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-3-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-3-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-3-carboxamide is Cc1c(C(O)CN2CCC(NC(=O)c3cncc(-n4cnnn4)c3)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-3-carboxamide?
The InChIKey is CWAKXTPOENUBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O4/c1-13-16(2-3-17-18(13)11-35-23(17)34)21(32)10-30-5-4-20(19(24)9-30)27-22(33)14-6-15(8-25-7-14)31-12-26-28-29-31/h2-3,6-8,12,19-21,32H,4-5,9-11H2,1H3,(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-3-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-3-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-3-carboxamide is sourced from PubChem (CID 118451526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).