N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C25H21FN8O2 — CID 166189624

IUPACN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C25H21FN8O2/c26-17-2-1-3-18(14-17)36-22-5-4-21(20-15-27-11-8-19(20)22)28-25(35)16-9-12-33(13-10-16)24-7-6-23-29-31-32-34(23)30-24/h1-8,11,14-16H,9-10,12-13H2,(H,28,35)
InChIKeyFBGBGRCUARHUTL-UHFFFAOYSA-N
MW484.50 g/mol
LogP3.85
Rot. Bonds5

About N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 166189624) has the molecular formula C25H21FN8O2 and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID166189624
Molecular FormulaC25H21FN8O2
Molecular Weight484.50 g/mol
Exact Mass484.18
IUPAC NameN-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C25H21FN8O2/c26-17-2-1-3-18(14-17)36-22-5-4-21(20-15-27-11-8-19(20)22)28-25(35)16-9-12-33(13-10-16)24-7-6-23-29-31-32-34(23)30-24/h1-8,11,14-16H,9-10,12-13H2,(H,28,35)
InChIKeyFBGBGRCUARHUTL-UHFFFAOYSA-N
XLogP3.85
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(3-fluorophenoxy)isoquinolin-8-yl]-3-methylurea
CID 167836215
N-[2-(difluoromethylsulfanyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748614
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 86890503
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 154839872
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 30748249
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-2-(4-oxocinnolin-1-yl)acetamide
CID 86887199
N-[4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 167759639
N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-(1-benzofuran-2-ylmethyl)-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 87001291
6-[4-(3-methoxyphenyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 133279385

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 166189624) is N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)c2ccncc12)C1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is FBGBGRCUARHUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN8O2/c26-17-2-1-3-18(14-17)36-22-5-4-21(20-15-27-11-8-19(20)22)28-25(35)16-9-12-33(13-10-16)24-7-6-23-29-31-32-34(23)30-24/h1-8,11,14-16H,9-10,12-13H2,(H,28,35).
What are the key properties of N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenoxy)isoquinolin-8-yl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166189624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).