6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one

C23H22N8O — CID 140912006

IUPAC6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cn3nnc4ccc(-c5cnn(C6CCNCC6)c5)nc43)ccc2[nH]1
InChIInChI=1S/C23H22N8O/c32-22-6-2-16-11-15(1-3-19(16)26-22)13-31-23-21(28-29-31)5-4-20(27-23)17-12-25-30(14-17)18-7-9-24-10-8-18/h1-6,11-12,14,18,24H,7-10,13H2,(H,26,32)
InChIKeyICCKIPMHUHDYQZ-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.50
Rot. Bonds4

About 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one

6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (PubChem CID 140912006) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
PubChem CID140912006
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
SMILESO=c1ccc2cc(Cn3nnc4ccc(-c5cnn(C6CCNCC6)c5)nc43)ccc2[nH]1
InChIInChI=1S/C23H22N8O/c32-22-6-2-16-11-15(1-3-19(16)26-22)13-31-23-21(28-29-31)5-4-20(27-23)17-12-25-30(14-17)18-7-9-24-10-8-18/h1-6,11-12,14,18,24H,7-10,13H2,(H,26,32)
InChIKeyICCKIPMHUHDYQZ-UHFFFAOYSA-N
XLogP2.50
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one (CID 140912006) is 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is O=c1ccc2cc(Cn3nnc4ccc(-c5cnn(C6CCNCC6)c5)nc43)ccc2[nH]1.
What is the InChIKey of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
The InChIKey is ICCKIPMHUHDYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c32-22-6-2-16-11-15(1-3-19(16)26-22)13-31-23-21(28-29-31)5-4-20(27-23)17-12-25-30(14-17)18-7-9-24-10-8-18/h1-6,11-12,14,18,24H,7-10,13H2,(H,26,32).
What are the key properties of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one?
6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one has a molecular weight of 426.48 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 140912006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).