6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine

C27H30N6 — CID 146410915

IUPAC6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(C5CCNCC5)n4)n3n2)c1
InChIInChI=1S/C27H30N6/c1-19-5-2-6-21(17-19)24-9-4-16-32(24)27-11-10-26-29-18-25(33(26)31-27)23-8-3-7-22(30-23)20-12-14-28-15-13-20/h2-3,5-8,10-11,17-18,20,24,28H,4,9,12-16H2,1H3
InChIKeyQLPCZHSRKWNPAL-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.91
Rot. Bonds4

About 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine

6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 146410915) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID146410915
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC Name6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(C5CCNCC5)n4)n3n2)c1
InChIInChI=1S/C27H30N6/c1-19-5-2-6-21(17-19)24-9-4-16-32(24)27-11-10-26-29-18-25(33(26)31-27)23-8-3-7-22(30-23)20-12-14-28-15-13-20/h2-3,5-8,10-11,17-18,20,24,28H,4,9,12-16H2,1H3
InChIKeyQLPCZHSRKWNPAL-UHFFFAOYSA-N
XLogP4.91
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 44519369
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
6-[6-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxamide
CID 44520270
6-[6-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 58335463
1-[6-[6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-ol
CID 58335467
3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 58335889
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58335841
(2S,6R)-4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 67029040
N-cyclopropyl-1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-amine
CID 76765252
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine
CID 161331913

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine (CID 146410915) is 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cccc(C2CCCN2c2ccc3ncc(-c4cccc(C5CCNCC5)n4)n3n2)c1.
What is the InChIKey of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is QLPCZHSRKWNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6/c1-19-5-2-6-21(17-19)24-9-4-16-32(24)27-11-10-26-29-18-25(33(26)31-27)23-8-3-7-22(30-23)20-12-14-28-15-13-20/h2-3,5-8,10-11,17-18,20,24,28H,4,9,12-16H2,1H3.
What are the key properties of 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine?
6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 438.58 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylphenyl)pyrrolidin-1-yl]-3-(6-piperidin-4-yl-2-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 146410915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).