(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

C21H21N7O2 — CID 53242190

IUPAC(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)[C@H](C)CNC5=O)cnc21
InChIInChI=1S/C21H21N7O2/c1-11(2)28-18-14(9-24-28)6-15(10-22-18)25-20(29)16-5-4-13-7-17-21(30)23-8-12(3)27(17)19(13)26-16/h4-7,9-12H,8H2,1-3H3,(H,23,30)(H,25,29)/t12-/m1/s1
InChIKeyMOAVQHGMQJPAOO-GFCCVEGCSA-N
MW403.45 g/mol
LogP2.92
Rot. Bonds3

About (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide

(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242190) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound Name(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242190
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)[C@H](C)CNC5=O)cnc21
InChIInChI=1S/C21H21N7O2/c1-11(2)28-18-14(9-24-28)6-15(10-22-18)25-20(29)16-5-4-13-7-17-21(30)23-8-12(3)27(17)19(13)26-16/h4-7,9-12H,8H2,1-3H3,(H,23,30)(H,25,29)/t12-/m1/s1
InChIKeyMOAVQHGMQJPAOO-GFCCVEGCSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242190) is (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)[C@H](C)CNC5=O)cnc21.
What is the InChIKey of (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is MOAVQHGMQJPAOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-11(2)28-18-14(9-24-28)6-15(10-22-18)25-20(29)16-5-4-13-7-17-21(30)23-8-12(3)27(17)19(13)26-16/h4-7,9-12H,8H2,1-3H3,(H,23,30)(H,25,29)/t12-/m1/s1.
What are the key properties of (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide?
(13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-13-methyl-10-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).