4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

C25H27N7O — CID 20943284

IUPAC4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc34)CC2)c1
InChIInChI=1S/C25H27N7O/c1-17-8-7-9-20(16-17)26-25(33)31-14-12-30(13-15-31)24-23-22(18(2)27-28-24)19(3)32(29-23)21-10-5-4-6-11-21/h4-11,16H,12-15H2,1-3H3,(H,26,33)
InChIKeyUDUMYHGLDPZJFT-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.09
Rot. Bonds3

About 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 20943284) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID20943284
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc34)CC2)c1
InChIInChI=1S/C25H27N7O/c1-17-8-7-9-20(16-17)26-25(33)31-14-12-30(13-15-31)24-23-22(18(2)27-28-24)19(3)32(29-23)21-10-5-4-6-11-21/h4-11,16H,12-15H2,1-3H3,(H,26,33)
InChIKeyUDUMYHGLDPZJFT-UHFFFAOYSA-N
XLogP4.09
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
CID 20920237
3,4-dimethyl-2-(4-methylphenyl)-7-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyridazine
CID 1234288
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20920285
N-[(2R)-butan-2-yl]-4-[3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-yl]piperazine-1-carboxamide
CID 92707655
(3R)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 92691796
(3S)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92691853
N-(3-chloro-2-methylphenyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-4-carboxamide
CID 20920224
(3S)-N-(3,4-dimethylphenyl)-1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidine-3-carboxamide
CID 92691829
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 20920230
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 20943284) is 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(c3nnc(C)c4c(C)n(-c5ccccc5)nc34)CC2)c1.
What is the InChIKey of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is UDUMYHGLDPZJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-17-8-7-9-20(16-17)26-25(33)31-14-12-30(13-15-31)24-23-22(18(2)27-28-24)19(3)32(29-23)21-10-5-4-6-11-21/h4-11,16H,12-15H2,1-3H3,(H,26,33).
What are the key properties of 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 20943284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).