(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

C19H20F2N6O — CID 59003611

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C19H20F2N6O/c1-13-3-4-17(23-22-13)27-16(14-5-8-25(2)12-14)11-15(24-27)18(28)26-9-6-19(20,21)7-10-26/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyQJAQMQWSURXESP-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.85
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (PubChem CID 59003611) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
PubChem CID59003611
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccn(C)c2)nn1
InChIInChI=1S/C19H20F2N6O/c1-13-3-4-17(23-22-13)27-16(14-5-8-25(2)12-14)11-15(24-27)18(28)26-9-6-19(20,21)7-10-26/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyQJAQMQWSURXESP-UHFFFAOYSA-N
XLogP2.85
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone (CID 59003611) is (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2ccn(C)c2)nn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
The InChIKey is QJAQMQWSURXESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-13-3-4-17(23-22-13)27-16(14-5-8-25(2)12-14)11-15(24-27)18(28)26-9-6-19(20,21)7-10-26/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone has a molecular weight of 386.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)-5-(1-methylpyrrol-3-yl)pyrazol-3-yl]methanone is sourced from PubChem (CID 59003611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).