2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine

C21H25N7 — CID 67016585

IUPAC2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(N3CCN(C(C)C)CC3)nn2c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C21H25N7/c1-14(2)26-10-12-27(13-11-26)19-5-4-18-24-15(3)20(28(18)25-19)16-6-8-22-21-17(16)7-9-23-21/h4-9,14H,10-13H2,1-3H3,(H,22,23)
InChIKeyYJKVGNVKSOSZCB-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine

2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 67016585) has the molecular formula C21H25N7 and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
PubChem CID67016585
Molecular FormulaC21H25N7
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(N3CCN(C(C)C)CC3)nn2c1-c1ccnc2[nH]ccc12
InChIInChI=1S/C21H25N7/c1-14(2)26-10-12-27(13-11-26)19-5-4-18-24-15(3)20(28(18)25-19)16-6-8-22-21-17(16)7-9-23-21/h4-9,14H,10-13H2,1-3H3,(H,22,23)
InChIKeyYJKVGNVKSOSZCB-UHFFFAOYSA-N
XLogP3.11
TPSA65.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016727
2-[(3aR,6aS)-5-[2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
CID 67016533
2-(3-fluorophenyl)-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25145367
3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 166991443
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
6-[(4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-2-(4-fluorophenyl)-8-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016766
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
4-(3-methylimidazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1,4-thiazine
CID 178113209
(3R)-4-[6-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167532742
3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 44818212
3-ethyl-2-methyl-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 91493052

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine (CID 67016585) is 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is Cc1nc2ccc(N3CCN(C(C)C)CC3)nn2c1-c1ccnc2[nH]ccc12.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is YJKVGNVKSOSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7/c1-14(2)26-10-12-27(13-11-26)19-5-4-18-24-15(3)20(28(18)25-19)16-6-8-22-21-17(16)7-9-23-21/h4-9,14H,10-13H2,1-3H3,(H,22,23).
What are the key properties of 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine?
2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 375.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67016585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).