N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

C19H16N6O3 — CID 90683951

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cocn3)c2)c2cncnc21
InChIInChI=1S/C19H16N6O3/c1-11(2)25-7-15(14-6-21-9-22-18(14)25)17(26)12-3-13(5-20-4-12)24-19(27)16-8-28-10-23-16/h3-11H,1-2H3,(H,24,27)
InChIKeyJIQGGQIOEFSQAB-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.88
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 90683951) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID90683951
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3cocn3)c2)c2cncnc21
InChIInChI=1S/C19H16N6O3/c1-11(2)25-7-15(14-6-21-9-22-18(14)25)17(26)12-3-13(5-20-4-12)24-19(27)16-8-28-10-23-16/h3-11H,1-2H3,(H,24,27)
InChIKeyJIQGGQIOEFSQAB-UHFFFAOYSA-N
XLogP2.88
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide (CID 90683951) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cocn3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is JIQGGQIOEFSQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11(2)25-7-15(14-6-21-9-22-18(14)25)17(26)12-3-13(5-20-4-12)24-19(27)16-8-28-10-23-16/h3-11H,1-2H3,(H,24,27).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90683951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).