10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C21H21N7O2 — CID 53242211

IUPAC10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)CCCNC5=O)cnc21
InChIInChI=1S/C21H21N7O2/c1-12(2)28-18-14(10-24-28)8-15(11-23-18)25-20(29)16-5-4-13-9-17-21(30)22-6-3-7-27(17)19(13)26-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,30)(H,25,29)
InChIKeyKSLDAMNDQVGQHI-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.75
Rot. Bonds3

About 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242211) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242211
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)CCCNC5=O)cnc21
InChIInChI=1S/C21H21N7O2/c1-12(2)28-18-14(10-24-28)8-15(11-23-18)25-20(29)16-5-4-13-9-17-21(30)22-6-3-7-27(17)19(13)26-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,30)(H,25,29)
InChIKeyKSLDAMNDQVGQHI-UHFFFAOYSA-N
XLogP2.75
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242211) is 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)CCCNC5=O)cnc21.
What is the InChIKey of 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is KSLDAMNDQVGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-12(2)28-18-14(10-24-28)8-15(11-23-18)25-20(29)16-5-4-13-9-17-21(30)22-6-3-7-27(17)19(13)26-16/h4-5,8-12H,3,6-7H2,1-2H3,(H,22,30)(H,25,29).
What are the key properties of 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).