6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

C22H21N5O4 — CID 71525950

IUPAC6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3ccc(-c4ccccc4OC[C@H](O)CO)nn23)c1
InChIInChI=1S/C22H21N5O4/c1-14-8-9-23-20(10-14)25-22(30)18-11-24-21-7-6-17(26-27(18)21)16-4-2-3-5-19(16)31-13-15(29)12-28/h2-11,15,28-29H,12-13H2,1H3,(H,23,25,30)/t15-/m1/s1
InChIKeyDBOVWLYQNSXACL-OAHLLOKOSA-N
MW419.44 g/mol
LogP2.08
Rot. Bonds7

About 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide

6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 71525950) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID71525950
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cnc3ccc(-c4ccccc4OC[C@H](O)CO)nn23)c1
InChIInChI=1S/C22H21N5O4/c1-14-8-9-23-20(10-14)25-22(30)18-11-24-21-7-6-17(26-27(18)21)16-4-2-3-5-19(16)31-13-15(29)12-28/h2-11,15,28-29H,12-13H2,1H3,(H,23,25,30)/t15-/m1/s1
InChIKeyDBOVWLYQNSXACL-OAHLLOKOSA-N
XLogP2.08
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 71525950) is 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is Cc1ccnc(NC(=O)c2cnc3ccc(-c4ccccc4OC[C@H](O)CO)nn23)c1.
What is the InChIKey of 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DBOVWLYQNSXACL-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-8-9-23-20(10-14)25-22(30)18-11-24-21-7-6-17(26-27(18)21)16-4-2-3-5-19(16)31-13-15(29)12-28/h2-11,15,28-29H,12-13H2,1H3,(H,23,25,30)/t15-/m1/s1.
What are the key properties of 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 71525950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).