morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C24H20N6O2 — CID 118000365

IUPACmorpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccnc5[nH]ccc45)n3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H20N6O2/c31-24(29-11-13-32-14-12-29)17-3-1-16(2-4-17)20-5-6-22-27-15-21(30(22)28-20)18-7-9-25-23-19(18)8-10-26-23/h1-10,15H,11-14H2,(H,25,26)
InChIKeyYHFSYIRUMLRPGI-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.41
Rot. Bonds3

About morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 118000365) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
PubChem CID118000365
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Namemorpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccnc5[nH]ccc45)n3n2)cc1)N1CCOCC1
InChIInChI=1S/C24H20N6O2/c31-24(29-11-13-32-14-12-29)17-3-1-16(2-4-17)20-5-6-22-27-15-21(30(22)28-20)18-7-9-25-23-19(18)8-10-26-23/h1-10,15H,11-14H2,(H,25,26)
InChIKeyYHFSYIRUMLRPGI-UHFFFAOYSA-N
XLogP3.41
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 118000365) is morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is O=C(c1ccc(-c2ccc3ncc(-c4ccnc5[nH]ccc45)n3n2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The InChIKey is YHFSYIRUMLRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c31-24(29-11-13-32-14-12-29)17-3-1-16(2-4-17)20-5-6-22-27-15-21(30(22)28-20)18-7-9-25-23-19(18)8-10-26-23/h1-10,15H,11-14H2,(H,25,26).
What are the key properties of morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 424.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 118000365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).