5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine

C27H24N6O — CID 70810917

IUPAC5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCc6ccccc65)n4)cnc32)cc1
InChIInChI=1S/C27H24N6O/c1-18-23-13-21(14-29-27(23)33(31-18)17-19-7-9-22(34-2)10-8-19)24-15-28-16-26(30-24)32-12-11-20-5-3-4-6-25(20)32/h3-10,13-16H,11-12,17H2,1-2H3
InChIKeyRMPSQMPTYXAWFO-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.95
Rot. Bonds5

About 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine

5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 70810917) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
PubChem CID70810917
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCc6ccccc65)n4)cnc32)cc1
InChIInChI=1S/C27H24N6O/c1-18-23-13-21(14-29-27(23)33(31-18)17-19-7-9-22(34-2)10-8-19)24-15-28-16-26(30-24)32-12-11-20-5-3-4-6-25(20)32/h3-10,13-16H,11-12,17H2,1-2H3
InChIKeyRMPSQMPTYXAWFO-UHFFFAOYSA-N
XLogP4.95
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine (CID 70810917) is 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine is COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCc6ccccc65)n4)cnc32)cc1.
What is the InChIKey of 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is RMPSQMPTYXAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-18-23-13-21(14-29-27(23)33(31-18)17-19-7-9-22(34-2)10-8-19)24-15-28-16-26(30-24)32-12-11-20-5-3-4-6-25(20)32/h3-10,13-16H,11-12,17H2,1-2H3.
What are the key properties of 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine?
5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 448.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 70810917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).