3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine

C17H18N4 — CID 66684411

IUPAC3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESCc1cnc2ccc(N3CCCC3c3ccccc3)nn12
InChIInChI=1S/C17H18N4/c1-13-12-18-16-9-10-17(19-21(13)16)20-11-5-8-15(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3
InChIKeyMUSHQFAAWOPQGT-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.38
Rot. Bonds2

About 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine

3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 66684411) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID66684411
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
SMILESCc1cnc2ccc(N3CCCC3c3ccccc3)nn12
InChIInChI=1S/C17H18N4/c1-13-12-18-16-9-10-17(19-21(13)16)20-11-5-8-15(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3
InChIKeyMUSHQFAAWOPQGT-UHFFFAOYSA-N
XLogP3.38
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
CID 146410915
3-phenyl-6-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 95298078
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
CID 58335793
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106
[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
CID 118158296
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87106081
1-(2-methyl-1H-imidazol-5-yl)-2-phenylpiperidine
CID 67815603
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 58335786
N-ethyl-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-sulfonamide
CID 66685123
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine (CID 66684411) is 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine is Cc1cnc2ccc(N3CCCC3c3ccccc3)nn12.
What is the InChIKey of 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is MUSHQFAAWOPQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-12-18-16-9-10-17(19-21(13)16)20-11-5-8-15(20)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11H2,1H3.
What are the key properties of 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine?
3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 278.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-phenylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 66684411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).