6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C22H24FN5O4 — CID 126709153

IUPAC6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)NC1=CC=C(F)CN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2
InChIInChI=1S/C22H24FN5O4/c1-13-21(22(31)26-19-7-5-15(23)10-24-19)28-20(25-13)8-6-18(27-28)14-3-2-4-17(9-14)32-12-16(30)11-29/h2-9,16,18,24,27,29-30H,10-12H2,1H3,(H,26,31)/t16-,18?/m1/s1
InChIKeyGLARHJSOBOZWNX-PYUWXLGESA-N
MW441.46 g/mol
LogP1.26
Rot. Bonds7

About 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709153) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709153
Molecular FormulaC22H24FN5O4
Molecular Weight441.46 g/mol
Exact Mass441.18
IUPAC Name6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2n(c1C(=O)NC1=CC=C(F)CN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2
InChIInChI=1S/C22H24FN5O4/c1-13-21(22(31)26-19-7-5-15(23)10-24-19)28-20(25-13)8-6-18(27-28)14-3-2-4-17(9-14)32-12-16(30)11-29/h2-9,16,18,24,27,29-30H,10-12H2,1H3,(H,26,31)/t16-,18?/m1/s1
InChIKeyGLARHJSOBOZWNX-PYUWXLGESA-N
XLogP1.26
TPSA120.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709153) is 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc2n(c1C(=O)NC1=CC=C(F)CN1)NC(c1cccc(OC[C@H](O)CO)c1)C=C2.
What is the InChIKey of 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GLARHJSOBOZWNX-PYUWXLGESA-N. The full InChI is InChI=1S/C22H24FN5O4/c1-13-21(22(31)26-19-7-5-15(23)10-24-19)28-20(25-13)8-6-18(27-28)14-3-2-4-17(9-14)32-12-16(30)11-29/h2-9,16,18,24,27,29-30H,10-12H2,1H3,(H,26,31)/t16-,18?/m1/s1.
What are the key properties of 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 1.26, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(3-fluoro-1,2-dihydropyridin-6-yl)-2-methyl-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).