5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide

C19H16N6O3 — CID 59394433

IUPAC5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCc1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1
InChIInChI=1S/C19H16N6O3/c1-11-6-17(24-28-11)23-19(26)25-5-4-12-7-13(2-3-16(12)25)27-18-14-8-20-9-15(14)21-10-22-18/h2-7,10,20H,8-9H2,1H3,(H,23,24,26)
InChIKeyODWMQJJKTIPUHH-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.20
Rot. Bonds3

About 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide

5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide (PubChem CID 59394433) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide.

Molecular Properties

Compound Name5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide
PubChem CID59394433
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCc1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1
InChIInChI=1S/C19H16N6O3/c1-11-6-17(24-28-11)23-19(26)25-5-4-12-7-13(2-3-16(12)25)27-18-14-8-20-9-15(14)21-10-22-18/h2-7,10,20H,8-9H2,1H3,(H,23,24,26)
InChIKeyODWMQJJKTIPUHH-UHFFFAOYSA-N
XLogP3.20
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide (CID 59394433) is 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide.
What is the SMILES notation for 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The canonical SMILES for 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide is Cc1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1.
What is the InChIKey of 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The InChIKey is ODWMQJJKTIPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11-6-17(24-28-11)23-19(26)25-5-4-12-7-13(2-3-16(12)25)27-18-14-8-20-9-15(14)21-10-22-18/h2-7,10,20H,8-9H2,1H3,(H,23,24,26).
What are the key properties of 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide?
5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 59394433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).