N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C22H24N8O2 — CID 90683630

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1
InChIInChI=1S/C22H24N8O2/c1-13(2)19-10-29(28-27-19)11-20(31)26-16-5-15(6-23-7-16)21(32)18-9-30(14(3)4)22-17(18)8-24-12-25-22/h5-10,12-14H,11H2,1-4H3,(H,26,31)
InChIKeyVWYSLCYHVZUOJQ-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.99
Rot. Bonds7

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

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 90683630) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID90683630
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1
InChIInChI=1S/C22H24N8O2/c1-13(2)19-10-29(28-27-19)11-20(31)26-16-5-15(6-23-7-16)21(32)18-9-30(14(3)4)22-17(18)8-24-12-25-22/h5-10,12-14H,11H2,1-4H3,(H,26,31)
InChIKeyVWYSLCYHVZUOJQ-UHFFFAOYSA-N
XLogP2.99
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 90683630) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is CC(C)c1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is VWYSLCYHVZUOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-13(2)19-10-29(28-27-19)11-20(31)26-16-5-15(6-23-7-16)21(32)18-9-30(14(3)4)22-17(18)8-24-12-25-22/h5-10,12-14H,11H2,1-4H3,(H,26,31).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 432.49 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 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]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 90683630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).