2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide

C19H22FN7O — CID 167847338

IUPAC2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC1(NC(=O)C(F)Cc2ccccc2)CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H22FN7O/c1-19(21-18(28)15(20)13-14-5-3-2-4-6-14)9-11-26(12-10-19)17-8-7-16-22-24-25-27(16)23-17/h2-8,15H,9-13H2,1H3,(H,21,28)
InChIKeyQJCCJKOWOZTWEM-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.58
Rot. Bonds5

About 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide

2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 167847338) has the molecular formula C19H22FN7O and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID167847338
Molecular FormulaC19H22FN7O
Molecular Weight383.43 g/mol
Exact Mass383.19
IUPAC Name2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide
SMILESCC1(NC(=O)C(F)Cc2ccccc2)CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C19H22FN7O/c1-19(21-18(28)15(20)13-14-5-3-2-4-6-14)9-11-26(12-10-19)17-8-7-16-22-24-25-27(16)23-17/h2-8,15H,9-13H2,1H3,(H,21,28)
InChIKeyQJCCJKOWOZTWEM-UHFFFAOYSA-N
XLogP1.58
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide (CID 167847338) is 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide is CC1(NC(=O)C(F)Cc2ccccc2)CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is QJCCJKOWOZTWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O/c1-19(21-18(28)15(20)13-14-5-3-2-4-6-14)9-11-26(12-10-19)17-8-7-16-22-24-25-27(16)23-17/h2-8,15H,9-13H2,1H3,(H,21,28).
What are the key properties of 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide?
2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 383.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-methyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 167847338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).