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

C21H20N6O3 — CID 90683855

IUPAC5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1
InChIInChI=1S/C21H20N6O3/c1-4-15-6-18(26-30-15)21(29)25-14-5-13(7-22-8-14)19(28)17-10-27(12(2)3)20-16(17)9-23-11-24-20/h5-12H,4H2,1-3H3,(H,25,29)
InChIKeyMREOJIYQLLOTPV-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.44
Rot. Bonds6

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

5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide (PubChem CID 90683855) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
PubChem CID90683855
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1
InChIInChI=1S/C21H20N6O3/c1-4-15-6-18(26-30-15)21(29)25-14-5-13(7-22-8-14)19(28)17-10-27(12(2)3)20-16(17)9-23-11-24-20/h5-12H,4H2,1-3H3,(H,25,29)
InChIKeyMREOJIYQLLOTPV-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

Analyze 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-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 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide (CID 90683855) is 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1.
What is the InChIKey of 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MREOJIYQLLOTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-4-15-6-18(26-30-15)21(29)25-14-5-13(7-22-8-14)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 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide?
5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-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 5-ethyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90683855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).