6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

C17H16FN5 — CID 133422395

IUPAC6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccn(-c2ccc(N3CCc4cc(F)ccc4C3)nn2)n1
InChIInChI=1S/C17H16FN5/c1-12-6-9-23(21-12)17-5-4-16(19-20-17)22-8-7-13-10-15(18)3-2-14(13)11-22/h2-6,9-10H,7-8,11H2,1H3
InChIKeyIQGVAQXBFFXFFU-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.67
Rot. Bonds2

About 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 133422395) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID133422395
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1ccn(-c2ccc(N3CCc4cc(F)ccc4C3)nn2)n1
InChIInChI=1S/C17H16FN5/c1-12-6-9-23(21-12)17-5-4-16(19-20-17)22-8-7-13-10-15(18)3-2-14(13)11-22/h2-6,9-10H,7-8,11H2,1H3
InChIKeyIQGVAQXBFFXFFU-UHFFFAOYSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluoro-2,5-dihydropyrrol-1-yl)-6-(3-methylpyrazol-1-yl)pyridazine
CID 166313785
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 113042478
N-ethyl-6-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 133422541
2-fluoro-4-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]benzonitrile
CID 171334843
2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133330395
4-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133422341
2-(4-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345870
(3,4-difluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122345832
2-(6-ethyl-5-fluoropyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422469
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133290493
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline (CID 133422395) is 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline is Cc1ccn(-c2ccc(N3CCc4cc(F)ccc4C3)nn2)n1.
What is the InChIKey of 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is IQGVAQXBFFXFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-12-6-9-23(21-12)17-5-4-16(19-20-17)22-8-7-13-10-15(18)3-2-14(13)11-22/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline?
6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 133422395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).