3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine

C24H26N6 — CID 146316103

IUPAC3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(-c2ccc3ncc(-c4ccc(CN5CCN[C@H](C)C5)cc4)n3n2)ccn1
InChIInChI=1S/C24H26N6/c1-17-13-21(9-10-25-17)22-7-8-24-27-14-23(30(24)28-22)20-5-3-19(4-6-20)16-29-12-11-26-18(2)15-29/h3-10,13-14,18,26H,11-12,15-16H2,1-2H3/t18-/m1/s1
InChIKeyIDAQTLAUPCLSOX-GOSISDBHSA-N
MW398.51 g/mol
LogP3.56
Rot. Bonds4

About 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine

3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine (PubChem CID 146316103) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
PubChem CID146316103
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine
SMILESCc1cc(-c2ccc3ncc(-c4ccc(CN5CCN[C@H](C)C5)cc4)n3n2)ccn1
InChIInChI=1S/C24H26N6/c1-17-13-21(9-10-25-17)22-7-8-24-27-14-23(30(24)28-22)20-5-3-19(4-6-20)16-29-12-11-26-18(2)15-29/h3-10,13-14,18,26H,11-12,15-16H2,1-2H3/t18-/m1/s1
InChIKeyIDAQTLAUPCLSOX-GOSISDBHSA-N
XLogP3.56
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine (CID 146316103) is 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine is Cc1cc(-c2ccc3ncc(-c4ccc(CN5CCN[C@H](C)C5)cc4)n3n2)ccn1.
What is the InChIKey of 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
The InChIKey is IDAQTLAUPCLSOX-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N6/c1-17-13-21(9-10-25-17)22-7-8-24-27-14-23(30(24)28-22)20-5-3-19(4-6-20)16-29-12-11-26-18(2)15-29/h3-10,13-14,18,26H,11-12,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine?
3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine has a molecular weight of 398.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(3R)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 146316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).