7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine

C22H28N6 — CID 139425768

IUPAC7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine
SMILESCc1ccc(N2CCN(c3nccc4cnn(C5CCNCC5)c34)CC2)cc1
InChIInChI=1S/C22H28N6/c1-17-2-4-19(5-3-17)26-12-14-27(15-13-26)22-21-18(6-11-24-22)16-25-28(21)20-7-9-23-10-8-20/h2-6,11,16,20,23H,7-10,12-15H2,1H3
InChIKeyVFFJDFNUFVSFIA-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.99
Rot. Bonds3

About 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine

7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine (PubChem CID 139425768) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine
PubChem CID139425768
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine
SMILESCc1ccc(N2CCN(c3nccc4cnn(C5CCNCC5)c34)CC2)cc1
InChIInChI=1S/C22H28N6/c1-17-2-4-19(5-3-17)26-12-14-27(15-13-26)22-21-18(6-11-24-22)16-25-28(21)20-7-9-23-10-8-20/h2-6,11,16,20,23H,7-10,12-15H2,1H3
InChIKeyVFFJDFNUFVSFIA-UHFFFAOYSA-N
XLogP2.99
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5,7-dimethyl-1-piperidin-4-ylindazole;hydrochloride
CID 134494617
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
4-[5-methyl-4-(4-methylphenoxy)pyrazol-1-yl]piperidine
CID 115055499
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 72856835
1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
CID 175654296
1-cyclohexyl-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 59686636
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20953845
1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 123982141
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
[1-(4-methylphenyl)-5-piperidin-4-ylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone;hydrochloride
CID 146059766
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
1-bromo-4-methylbenzene;1-(4-methylphenyl)piperazine
CID 161139081

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine?
The IUPAC name of 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine (CID 139425768) is 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine.
What is the SMILES notation for 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine?
The canonical SMILES for 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine is Cc1ccc(N2CCN(c3nccc4cnn(C5CCNCC5)c34)CC2)cc1.
What is the InChIKey of 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine?
The InChIKey is VFFJDFNUFVSFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-17-2-4-19(5-3-17)26-12-14-27(15-13-26)22-21-18(6-11-24-22)16-25-28(21)20-7-9-23-10-8-20/h2-6,11,16,20,23H,7-10,12-15H2,1H3.
What are the key properties of 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine?
7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine has a molecular weight of 376.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-methylphenyl)piperazin-1-yl]-1-piperidin-4-ylpyrazolo[5,4-c]pyridine is sourced from PubChem (CID 139425768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).