3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide

C21H20N6O3 — CID 90683867

IUPAC3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)on1
InChIInChI=1S/C21H20N6O3/c1-4-14-6-18(30-26-14)21(29)25-15-5-13(7-22-8-15)19(28)17-10-27(12(2)3)20-16(17)9-23-11-24-20/h5-12H,4H2,1-3H3,(H,25,29)
InChIKeyWEMAAXHCMYOWAT-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.44
Rot. Bonds6

About 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide

3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide (PubChem CID 90683867) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide
PubChem CID90683867
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)on1
InChIInChI=1S/C21H20N6O3/c1-4-14-6-18(30-26-14)21(29)25-15-5-13(7-22-8-15)19(28)17-10-27(12(2)3)20-16(17)9-23-11-24-20/h5-12H,4H2,1-3H3,(H,25,29)
InChIKeyWEMAAXHCMYOWAT-UHFFFAOYSA-N
XLogP3.44
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide (CID 90683867) is 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide is CCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)on1.
What is the InChIKey of 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WEMAAXHCMYOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-4-14-6-18(30-26-14)21(29)25-15-5-13(7-22-8-15)19(28)17-10-27(12(2)3)20-16(17)9-23-11-24-20/h5-12H,4H2,1-3H3,(H,25,29).
What are the key properties of 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide?
3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90683867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).