[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

C24H23N7O — CID 122347093

IUPAC[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)n1
InChIInChI=1S/C24H23N7O/c1-17-5-4-8-21(25-17)27-22-11-12-23(29-28-22)30-13-15-31(16-14-30)24(32)20-10-9-18-6-2-3-7-19(18)26-20/h2-12H,13-16H2,1H3,(H,25,27,28)
InChIKeyIBFWRFNIHHCGIB-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.43
Rot. Bonds4

About [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 122347093) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID122347093
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)n1
InChIInChI=1S/C24H23N7O/c1-17-5-4-8-21(25-17)27-22-11-12-23(29-28-22)30-13-15-31(16-14-30)24(32)20-10-9-18-6-2-3-7-19(18)26-20/h2-12H,13-16H2,1H3,(H,25,27,28)
InChIKeyIBFWRFNIHHCGIB-UHFFFAOYSA-N
XLogP3.43
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 42111751
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
1-[4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]phenyl]ethanone
CID 122347231
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122347126
(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111756
(4-bromophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 121064797
(4-methoxyphenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 50947588
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122347173
[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347137
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122347092
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122351396

Frequently Asked Questions

What is the IUPAC name of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (CID 122347093) is [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)n1.
What is the InChIKey of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is IBFWRFNIHHCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-17-5-4-8-21(25-17)27-22-11-12-23(29-28-22)30-13-15-31(16-14-30)24(32)20-10-9-18-6-2-3-7-19(18)26-20/h2-12H,13-16H2,1H3,(H,25,27,28).
What are the key properties of [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 425.50 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 122347093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).