4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

C18H21ClN6O2 — CID 155454506

IUPAC4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESClc1cc(N2CCOCC2)c2ncc(-c3ccnn3C3CCCCO3)n2n1
InChIInChI=1S/C18H21ClN6O2/c19-16-11-14(23-6-9-26-10-7-23)18-20-12-15(25(18)22-16)13-4-5-21-24(13)17-3-1-2-8-27-17/h4-5,11-12,17H,1-3,6-10H2
InChIKeyBNIDTTPMVCQHMH-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.78
Rot. Bonds3

About 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 155454506) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID155454506
Molecular FormulaC18H21ClN6O2
Molecular Weight388.86 g/mol
Exact Mass388.14
IUPAC Name4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESClc1cc(N2CCOCC2)c2ncc(-c3ccnn3C3CCCCO3)n2n1
InChIInChI=1S/C18H21ClN6O2/c19-16-11-14(23-6-9-26-10-7-23)18-20-12-15(25(18)22-16)13-4-5-21-24(13)17-3-1-2-8-27-17/h4-5,11-12,17H,1-3,6-10H2
InChIKeyBNIDTTPMVCQHMH-UHFFFAOYSA-N
XLogP2.78
TPSA69.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine
CID 155454704
(3S)-4-[5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]-3-methylmorpholine
CID 168921681
4-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]morpholine
CID 118869130
4-[4-chloro-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446399
1-benzyl-5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-b]pyridine
CID 118159426
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446334
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
CID 88950303
CID 88950303
4-[8-[2-(oxan-2-yl)pyrazol-3-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869091
3-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 170984356
4-[5-morpholin-4-yl-3-[2-(oxan-2-yl)pyrazol-3-yl]-[1,2]thiazolo[4,5-b]pyridin-7-yl]oxan-4-ol
CID 175910837

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 155454506) is 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is Clc1cc(N2CCOCC2)c2ncc(-c3ccnn3C3CCCCO3)n2n1.
What is the InChIKey of 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is BNIDTTPMVCQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O2/c19-16-11-14(23-6-9-26-10-7-23)18-20-12-15(25(18)22-16)13-4-5-21-24(13)17-3-1-2-8-27-17/h4-5,11-12,17H,1-3,6-10H2.
What are the key properties of 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 388.86 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 155454506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).