6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine

C18H18ClN7O — CID 155454704

IUPAC6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine
SMILESCn1nccc1-c1cc(Cl)nn2c(-c3ccnn3C3CCCCO3)cnc12
InChIInChI=1S/C18H18ClN7O/c1-24-13(5-7-21-24)12-10-16(19)23-26-15(11-20-18(12)26)14-6-8-22-25(14)17-4-2-3-9-27-17/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyFFZBAJLNFUUMBV-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.35
Rot. Bonds3

About 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine

6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine (PubChem CID 155454704) has the molecular formula C18H18ClN7O and a molecular weight of 383.84 g/mol. Its IUPAC name is 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine
PubChem CID155454704
Molecular FormulaC18H18ClN7O
Molecular Weight383.84 g/mol
Exact Mass383.13
IUPAC Name6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine
SMILESCn1nccc1-c1cc(Cl)nn2c(-c3ccnn3C3CCCCO3)cnc12
InChIInChI=1S/C18H18ClN7O/c1-24-13(5-7-21-24)12-10-16(19)23-26-15(11-20-18(12)26)14-6-8-22-25(14)17-4-2-3-9-27-17/h5-8,10-11,17H,2-4,9H2,1H3
InChIKeyFFZBAJLNFUUMBV-UHFFFAOYSA-N
XLogP3.35
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-chloro-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 155454506
5-(2-ethynylphenyl)-1-(oxan-2-yl)pyrazole
CID 170984358
6-chloro-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-4-amine
CID 171066775
4-[2-(oxan-2-yl)pyrazol-3-yl]benzene-1,2-dicarbonitrile
CID 67172757
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539
4-fluoro-2-[2-(oxan-2-yl)pyrazol-3-yl]aniline
CID 126607358
2-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677650
1-benzyl-5-chloro-2-[2-(oxan-2-yl)pyrazol-3-yl]pyrrolo[3,2-b]pyridine
CID 118159426
(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
CID 88950303
CID 88950303

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine (CID 155454704) is 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine is Cn1nccc1-c1cc(Cl)nn2c(-c3ccnn3C3CCCCO3)cnc12.
What is the InChIKey of 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine?
The InChIKey is FFZBAJLNFUUMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7O/c1-24-13(5-7-21-24)12-10-16(19)23-26-15(11-20-18(12)26)14-6-8-22-25(14)17-4-2-3-9-27-17/h5-8,10-11,17H,2-4,9H2,1H3.
What are the key properties of 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine?
6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine has a molecular weight of 383.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(2-methylpyrazol-3-yl)-3-[2-(oxan-2-yl)pyrazol-3-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 155454704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).