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

C24H24N6O3 — CID 59394511

IUPACN-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)on1)n1ccc2cc(Oc3ncnc4c3CNC4)ccc21
InChIInChI=1S/C24H24N6O3/c31-24(28-22-11-21(33-29-22)15-4-2-1-3-5-15)30-9-8-16-10-17(6-7-20(16)30)32-23-18-12-25-13-19(18)26-14-27-23/h6-11,14-15,25H,1-5,12-13H2,(H,28,29,31)
InChIKeyYKTXECSQKGQIEZ-UHFFFAOYSA-N
MW444.50 g/mol
LogP4.94
Rot. Bonds4

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

N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 59394511) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID59394511
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESO=C(Nc1cc(C2CCCCC2)on1)n1ccc2cc(Oc3ncnc4c3CNC4)ccc21
InChIInChI=1S/C24H24N6O3/c31-24(28-22-11-21(33-29-22)15-4-2-1-3-5-15)30-9-8-16-10-17(6-7-20(16)30)32-23-18-12-25-13-19(18)26-14-27-23/h6-11,14-15,25H,1-5,12-13H2,(H,28,29,31)
InChIKeyYKTXECSQKGQIEZ-UHFFFAOYSA-N
XLogP4.94
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 59394511) is N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is O=C(Nc1cc(C2CCCCC2)on1)n1ccc2cc(Oc3ncnc4c3CNC4)ccc21.
What is the InChIKey of N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is YKTXECSQKGQIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-24(28-22-11-21(33-29-22)15-4-2-1-3-5-15)30-9-8-16-10-17(6-7-20(16)30)32-23-18-12-25-13-19(18)26-14-27-23/h6-11,14-15,25H,1-5,12-13H2,(H,28,29,31).
What are the key properties of N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 59394511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).