1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C21H22N8 — CID 139028022

IUPAC1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H22N8/c1-15-23-20-17(14-22-27(20)2)21(24-15)29-12-10-28(11-13-29)19-9-8-18(25-26-19)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyHKYGRCGWKHESRC-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.46
Rot. Bonds3

About 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 139028022) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID139028022
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C21H22N8/c1-15-23-20-17(14-22-27(20)2)21(24-15)29-12-10-28(11-13-29)19-9-8-18(25-26-19)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3
InChIKeyHKYGRCGWKHESRC-UHFFFAOYSA-N
XLogP2.46
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 86949776
5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 108772905
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
(3R)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-3-phenylpyrrolidin-3-ol
CID 95723078
3-amino-1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953895
4-[4-(6-ethyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154829125
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
ethyl 2-methyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108772879
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
CID 108772920
3-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 86959123

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 139028022) is 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nc(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is HKYGRCGWKHESRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-15-23-20-17(14-22-27(20)2)21(24-15)29-12-10-28(11-13-29)19-9-8-18(25-26-19)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 386.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 139028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).