4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C20H26N6 — CID 46203354

IUPAC4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1c(CCN2CCN(C)CC2)c(-c2ccccc2)nc2n[nH]c(N)c12
InChIInChI=1S/C20H26N6/c1-14-16(8-9-26-12-10-25(2)11-13-26)18(15-6-4-3-5-7-15)22-20-17(14)19(21)23-24-20/h3-7H,8-13H2,1-2H3,(H3,21,22,23,24)
InChIKeyZZTWDSYSUMEXKI-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.31
Rot. Bonds4

About 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 46203354) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID46203354
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCc1c(CCN2CCN(C)CC2)c(-c2ccccc2)nc2n[nH]c(N)c12
InChIInChI=1S/C20H26N6/c1-14-16(8-9-26-12-10-25(2)11-13-26)18(15-6-4-3-5-7-15)22-20-17(14)19(21)23-24-20/h3-7H,8-13H2,1-2H3,(H3,21,22,23,24)
InChIKeyZZTWDSYSUMEXKI-UHFFFAOYSA-N
XLogP2.31
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 46203354) is 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is Cc1c(CCN2CCN(C)CC2)c(-c2ccccc2)nc2n[nH]c(N)c12.
What is the InChIKey of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is ZZTWDSYSUMEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-16(8-9-26-12-10-25(2)11-13-26)18(15-6-4-3-5-7-15)22-20-17(14)19(21)23-24-20/h3-7H,8-13H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 350.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 46203354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).