1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine

C26H31N7O2 — CID 70810909

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(OCCN5CCN(C)CC5)n4)cnc32)cc1
InChIInChI=1S/C26H31N7O2/c1-19-23-14-21(15-28-26(23)33(30-19)18-20-4-6-22(34-3)7-5-20)24-16-27-17-25(29-24)35-13-12-32-10-8-31(2)9-11-32/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyHFFGXTUTHJPDMQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.88
Rot. Bonds8

About 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine

1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine (PubChem CID 70810909) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine
PubChem CID70810909
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(OCCN5CCN(C)CC5)n4)cnc32)cc1
InChIInChI=1S/C26H31N7O2/c1-19-23-14-21(15-28-26(23)33(30-19)18-20-4-6-22(34-3)7-5-20)24-16-27-17-25(29-24)35-13-12-32-10-8-31(2)9-11-32/h4-7,14-17H,8-13,18H2,1-3H3
InChIKeyHFFGXTUTHJPDMQ-UHFFFAOYSA-N
XLogP2.88
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine (CID 70810909) is 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine is COc1ccc(Cn2nc(C)c3cc(-c4cncc(OCCN5CCN(C)CC5)n4)cnc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is HFFGXTUTHJPDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-19-23-14-21(15-28-26(23)33(30-19)18-20-4-6-22(34-3)7-5-20)24-16-27-17-25(29-24)35-13-12-32-10-8-31(2)9-11-32/h4-7,14-17H,8-13,18H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine?
1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 473.58 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-5-[6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazin-2-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 70810909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).