6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

C24H25N9O — CID 156887410

IUPAC6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3ccc(-c4cnc(N5C[C@@H](C)N(C)[C@@H](C)C5)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C24H25N9O/c1-14-11-33-23(27-14)18(9-25)7-20(30-33)17-5-6-19(22(34)8-17)21-10-26-24(29-28-21)32-12-15(2)31(4)16(3)13-32/h5-8,10-11,15-16,34H,12-13H2,1-4H3/t15-,16+
InChIKeyOYCLVMPKUCJNMN-IYBDPMFKSA-N
MW455.53 g/mol
LogP2.66
Rot. Bonds3

About 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (PubChem CID 156887410) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
PubChem CID156887410
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3ccc(-c4cnc(N5C[C@@H](C)N(C)[C@@H](C)C5)nn4)c(O)c3)cc(C#N)c2n1
InChIInChI=1S/C24H25N9O/c1-14-11-33-23(27-14)18(9-25)7-20(30-33)17-5-6-19(22(34)8-17)21-10-26-24(29-28-21)32-12-15(2)31(4)16(3)13-32/h5-8,10-11,15-16,34H,12-13H2,1-4H3/t15-,16+
InChIKeyOYCLVMPKUCJNMN-IYBDPMFKSA-N
XLogP2.66
TPSA119.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The IUPAC name of 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (CID 156887410) is 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.
What is the SMILES notation for 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The canonical SMILES for 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is Cc1cn2nc(-c3ccc(-c4cnc(N5C[C@@H](C)N(C)[C@@H](C)C5)nn4)c(O)c3)cc(C#N)c2n1.
What is the InChIKey of 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The InChIKey is OYCLVMPKUCJNMN-IYBDPMFKSA-N. The full InChI is InChI=1S/C24H25N9O/c1-14-11-33-23(27-14)18(9-25)7-20(30-33)17-5-6-19(22(34)8-17)21-10-26-24(29-28-21)32-12-15(2)31(4)16(3)13-32/h5-8,10-11,15-16,34H,12-13H2,1-4H3/t15-,16+.
What are the key properties of 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile has a molecular weight of 455.53 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-4-[3-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is sourced from PubChem (CID 156887410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).