6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C15H17F2N7O — CID 126709322

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CN=CCN1)c1cnc2n1NC(N1CCC(F)(F)C1)C=C2
InChIInChI=1S/C15H17F2N7O/c16-15(17)3-6-23(9-15)13-2-1-12-20-7-10(24(12)22-13)14(25)21-11-8-18-4-5-19-11/h1-2,4,7-8,13,19,22H,3,5-6,9H2,(H,21,25)
InChIKeyYKBSLYPQLHOQQK-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.32
Rot. Bonds3

About 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709322) has the molecular formula C15H17F2N7O and a molecular weight of 349.35 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709322
Molecular FormulaC15H17F2N7O
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1=CN=CCN1)c1cnc2n1NC(N1CCC(F)(F)C1)C=C2
InChIInChI=1S/C15H17F2N7O/c16-15(17)3-6-23(9-15)13-2-1-12-20-7-10(24(12)22-13)14(25)21-11-8-18-4-5-19-11/h1-2,4,7-8,13,19,22H,3,5-6,9H2,(H,21,25)
InChIKeyYKBSLYPQLHOQQK-UHFFFAOYSA-N
XLogP0.32
TPSA86.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709322) is 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1=CN=CCN1)c1cnc2n1NC(N1CCC(F)(F)C1)C=C2.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is YKBSLYPQLHOQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N7O/c16-15(17)3-6-23(9-15)13-2-1-12-20-7-10(24(12)22-13)14(25)21-11-8-18-4-5-19-11/h1-2,4,7-8,13,19,22H,3,5-6,9H2,(H,21,25).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).