6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride

C22H17ClFN3 — CID 121317274

IUPAC6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride
SMILESCl.Fc1cnccc1-c1cc(C2CC2)nnc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H16FN3.ClH/c23-20-13-24-10-9-18(20)19-12-21(15-6-7-15)25-26-22(19)17-8-5-14-3-1-2-4-16(14)11-17;/h1-5,8-13,15H,6-7H2;1H
InChIKeyTXSRNINMTQBORK-UHFFFAOYSA-N
MW377.85 g/mol
LogP5.80
Rot. Bonds3

About 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride

6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride (PubChem CID 121317274) has the molecular formula C22H17ClFN3 and a molecular weight of 377.85 g/mol. Its IUPAC name is 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride.

Molecular Properties

Compound Name6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride
PubChem CID121317274
Molecular FormulaC22H17ClFN3
Molecular Weight377.85 g/mol
Exact Mass377.11
IUPAC Name6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride
SMILESCl.Fc1cnccc1-c1cc(C2CC2)nnc1-c1ccc2ccccc2c1
InChIInChI=1S/C22H16FN3.ClH/c23-20-13-24-10-9-18(20)19-12-21(15-6-7-15)25-26-22(19)17-8-5-14-3-1-2-4-16(14)11-17;/h1-5,8-13,15H,6-7H2;1H
InChIKeyTXSRNINMTQBORK-UHFFFAOYSA-N
XLogP5.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride?
The IUPAC name of 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride (CID 121317274) is 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride.
What is the SMILES notation for 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride?
The canonical SMILES for 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride is Cl.Fc1cnccc1-c1cc(C2CC2)nnc1-c1ccc2ccccc2c1.
What is the InChIKey of 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride?
The InChIKey is TXSRNINMTQBORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3.ClH/c23-20-13-24-10-9-18(20)19-12-21(15-6-7-15)25-26-22(19)17-8-5-14-3-1-2-4-16(14)11-17;/h1-5,8-13,15H,6-7H2;1H.
What are the key properties of 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride?
6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride has a molecular weight of 377.85 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(3-fluoro-4-pyridinyl)-3-naphthalen-2-ylpyridazine;hydrochloride is sourced from PubChem (CID 121317274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).