5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide

C24H25N7O4 — CID 59394705

IUPAC5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CN(CC(N)=O)C5)ccc32)no1
InChIInChI=1S/C24H25N7O4/c1-24(2,3)19-9-21(29-35-19)28-23(33)31-7-6-14-8-15(4-5-18(14)31)34-22-16-10-30(12-20(25)32)11-17(16)26-13-27-22/h4-9,13H,10-12H2,1-3H3,(H2,25,32)(H,28,29,33)
InChIKeyUPAVVMPJGMGMLU-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.39
Rot. Bonds5

About 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide

5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide (PubChem CID 59394705) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide.

Molecular Properties

Compound Name5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide
PubChem CID59394705
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CN(CC(N)=O)C5)ccc32)no1
InChIInChI=1S/C24H25N7O4/c1-24(2,3)19-9-21(29-35-19)28-23(33)31-7-6-14-8-15(4-5-18(14)31)34-22-16-10-30(12-20(25)32)11-17(16)26-13-27-22/h4-9,13H,10-12H2,1-3H3,(H2,25,32)(H,28,29,33)
InChIKeyUPAVVMPJGMGMLU-UHFFFAOYSA-N
XLogP3.39
TPSA141.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide with MolForge

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Related Compounds

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
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394335
2-[4-(1-methylindol-5-yl)oxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]acetamide
CID 129044958
5-[(6-acetyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl)oxy]-N-(5-cyclopropyl-1,2-oxazol-3-yl)indole-1-carboxamide
CID 59394015
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 127045352
N-(5-cyclopropyl-1,2-oxazol-3-yl)-5-[[(6S)-7-ethyl-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394616
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
4-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)carbamoyl]indol-5-yl]oxy-N-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 129045028
5-[[(6S)-7-(2-aminoacetyl)-6-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394450
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 59394725
5-[[(6S)-6-methyl-7-(2-methylaziridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]indole-1-carboxamide
CID 129045543

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The IUPAC name of 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide (CID 59394705) is 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide.
What is the SMILES notation for 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The canonical SMILES for 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide is CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CN(CC(N)=O)C5)ccc32)no1.
What is the InChIKey of 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide?
The InChIKey is UPAVVMPJGMGMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-24(2,3)19-9-21(29-35-19)28-23(33)31-7-6-14-8-15(4-5-18(14)31)34-22-16-10-30(12-20(25)32)11-17(16)26-13-27-22/h4-9,13H,10-12H2,1-3H3,(H2,25,32)(H,28,29,33).
What are the key properties of 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide?
5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-amino-2-oxoethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]oxy]-N-(5-tert-butyl-1,2-oxazol-3-yl)indole-1-carboxamide is sourced from PubChem (CID 59394705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).