3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine

C23H25N7 — CID 108773534

IUPAC3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(N2CCN(c3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)ncn1
InChIInChI=1S/C23H25N7/c1-16-13-21(29-11-9-28(10-12-29)20-14-17(2)24-15-25-20)26-23-22(16)18(3)27-30(23)19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3
InChIKeyOJYUCGQHAIUURW-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.46
Rot. Bonds3

About 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine

3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 108773534) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID108773534
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1cc(N2CCN(c3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)ncn1
InChIInChI=1S/C23H25N7/c1-16-13-21(29-11-9-28(10-12-29)20-14-17(2)24-15-25-20)26-23-22(16)18(3)27-30(23)19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3
InChIKeyOJYUCGQHAIUURW-UHFFFAOYSA-N
XLogP3.46
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-methyl-6-(4-methylpiperazin-1-yl)-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 3585431
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 163346665
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
2-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108773538
4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163351970
4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 1069507
2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 50799148
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 171335728
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
CID 17308016
6-[(3-chlorophenyl)methoxy]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridine
CID 50793866
4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743323

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine (CID 108773534) is 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine is Cc1cc(N2CCN(c3cc(C)c4c(C)nn(-c5ccccc5)c4n3)CC2)ncn1.
What is the InChIKey of 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is OJYUCGQHAIUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-16-13-21(29-11-9-28(10-12-29)20-14-17(2)24-15-25-20)26-23-22(16)18(3)27-30(23)19-7-5-4-6-8-19/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine?
3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 108773534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).