6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C19H21FN6O — CID 139548112

IUPAC6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1F
InChIInChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyKVGVKTZXYYUWKQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.90
Rot. Bonds4

About 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 139548112) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID139548112
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC Name6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCC(C)c1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1F
InChIInChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyKVGVKTZXYYUWKQ-UHFFFAOYSA-N
XLogP1.90
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 139548112) is 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is CC(C)c1ncc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1F.
What is the InChIKey of 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is KVGVKTZXYYUWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c1-13(2)19-16(20)9-14(12-22-19)10-18(27)26-7-5-25(6-8-26)17-4-3-15(11-21)23-24-17/h3-4,9,12-13H,5-8,10H2,1-2H3.
What are the key properties of 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 368.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(5-fluoro-6-propan-2-yl-3-pyridinyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 139548112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).