2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole

C21H23N5O — CID 175764970

IUPAC2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole
SMILESCc1nc2ccc(C3=CCN4N=C(C5CCN(C)CC5)C=CC4=N3)cc2o1
InChIInChI=1S/C21H23N5O/c1-14-22-19-4-3-16(13-20(19)27-14)17-9-12-26-21(23-17)6-5-18(24-26)15-7-10-25(2)11-8-15/h3-6,9,13,15H,7-8,10-12H2,1-2H3
InChIKeyQEUGKSVKPOEBIB-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.46
Rot. Bonds2

About 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole

2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole (PubChem CID 175764970) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole
PubChem CID175764970
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole
SMILESCc1nc2ccc(C3=CCN4N=C(C5CCN(C)CC5)C=CC4=N3)cc2o1
InChIInChI=1S/C21H23N5O/c1-14-22-19-4-3-16(13-20(19)27-14)17-9-12-26-21(23-17)6-5-18(24-26)15-7-10-25(2)11-8-15/h3-6,9,13,15H,7-8,10-12H2,1-2H3
InChIKeyQEUGKSVKPOEBIB-UHFFFAOYSA-N
XLogP3.46
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-methylidene-7-(1-methylpiperidin-4-yl)pyrimido[1,2-b]pyridazine
CID 163828264
(2S,3S)-2-[4-(2-methyl-1,3-benzoxazol-6-yl)phenyl]pyrrolidin-3-ol
CID 154807919
2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
CID 171974718
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
2-methyl-6-(3-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759837
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
4-(2-methyl-1,3-benzoxazol-6-yl)cyclohexan-1-one
CID 116963374
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
5-amino-2-(2-methyl-1,3-benzoxazol-6-yl)-4H-pyrazol-3-one
CID 82390925
2-methyl-6-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)-1,3-benzoxazole
CID 178050897
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole (CID 175764970) is 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole is Cc1nc2ccc(C3=CCN4N=C(C5CCN(C)CC5)C=CC4=N3)cc2o1.
What is the InChIKey of 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole?
The InChIKey is QEUGKSVKPOEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-22-19-4-3-16(13-20(19)27-14)17-9-12-26-21(23-17)6-5-18(24-26)15-7-10-25(2)11-8-15/h3-6,9,13,15H,7-8,10-12H2,1-2H3.
What are the key properties of 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole?
2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole has a molecular weight of 361.45 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[7-(1-methylpiperidin-4-yl)-4H-pyrimido[1,2-b]pyridazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 175764970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).