N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

C23H24N6O3 — CID 59394005

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)no1
InChIInChI=1S/C23H24N6O3/c1-23(2,3)19-11-20(28-32-19)27-22(30)29-9-7-14-10-15(4-5-18(14)29)31-21-16-6-8-24-12-17(16)25-13-26-21/h4-5,7,9-11,13,24H,6,8,12H2,1-3H3,(H,27,28,30)
InChIKeySBFPCZNJFKYNLE-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.24
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (PubChem CID 59394005) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
PubChem CID59394005
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)no1
InChIInChI=1S/C23H24N6O3/c1-23(2,3)19-11-20(28-32-19)27-22(30)29-9-7-14-10-15(4-5-18(14)29)31-21-16-6-8-24-12-17(16)25-13-26-21/h4-5,7,9-11,13,24H,6,8,12H2,1-3H3,(H,27,28,30)
InChIKeySBFPCZNJFKYNLE-UHFFFAOYSA-N
XLogP4.24
TPSA107.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide (CID 59394005) is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CCNC5)ccc32)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
The InChIKey is SBFPCZNJFKYNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-23(2,3)19-11-20(28-32-19)27-22(30)29-9-7-14-10-15(4-5-18(14)29)31-21-16-6-8-24-12-17(16)25-13-26-21/h4-5,7,9-11,13,24H,6,8,12H2,1-3H3,(H,27,28,30).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide is sourced from PubChem (CID 59394005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).