N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

C25H28N6O3 — CID 129045025

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2)C1
InChIInChI=1S/C25H28N6O3/c1-5-30-10-9-18-19(14-30)26-15-27-23(18)33-17-6-7-20-16(12-17)8-11-31(20)24(32)28-22-13-21(34-29-22)25(2,3)4/h6-8,11-13,15H,5,9-10,14H2,1-4H3,(H,28,29,32)
InChIKeyHXUBLDWFRCHXGK-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.97
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (PubChem CID 129045025) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
PubChem CID129045025
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide
SMILESCCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2)C1
InChIInChI=1S/C25H28N6O3/c1-5-30-10-9-18-19(14-30)26-15-27-23(18)33-17-6-7-20-16(12-17)8-11-31(20)24(32)28-22-13-21(34-29-22)25(2,3)4/h6-8,11-13,15H,5,9-10,14H2,1-4H3,(H,28,29,32)
InChIKeyHXUBLDWFRCHXGK-UHFFFAOYSA-N
XLogP4.97
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide (CID 129045025) is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is CCN1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cc(C(C)(C)C)on3)c2)C1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
The InChIKey is HXUBLDWFRCHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-5-30-10-9-18-19(14-30)26-15-27-23(18)33-17-6-7-20-16(12-17)8-11-31(20)24(32)28-22-13-21(34-29-22)25(2,3)4/h6-8,11-13,15H,5,9-10,14H2,1-4H3,(H,28,29,32).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 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-[(7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)oxy]indole-1-carboxamide is sourced from PubChem (CID 129045025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).