1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one

C23H22N6O2 — CID 70811056

IUPAC1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCCC5=O)n4)cnc32)cc1
InChIInChI=1S/C23H22N6O2/c1-15-19-10-17(20-12-24-13-21(26-20)28-9-3-4-22(28)30)11-25-23(19)29(27-15)14-16-5-7-18(31-2)8-6-16/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyYMQOPKQUIGJCMS-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.38
Rot. Bonds5

About 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one

1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one (PubChem CID 70811056) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one
PubChem CID70811056
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCCC5=O)n4)cnc32)cc1
InChIInChI=1S/C23H22N6O2/c1-15-19-10-17(20-12-24-13-21(26-20)28-9-3-4-22(28)30)11-25-23(19)29(27-15)14-16-5-7-18(31-2)8-6-16/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKeyYMQOPKQUIGJCMS-UHFFFAOYSA-N
XLogP3.38
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one (CID 70811056) is 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one is COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCCC5=O)n4)cnc32)cc1.
What is the InChIKey of 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one?
The InChIKey is YMQOPKQUIGJCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-19-10-17(20-12-24-13-21(26-20)28-9-3-4-22(28)30)11-25-23(19)29(27-15)14-16-5-7-18(31-2)8-6-16/h5-8,10-13H,3-4,9,14H2,1-2H3.
What are the key properties of 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one?
1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one has a molecular weight of 414.47 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 70811056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).