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

C23H26N8O3 — CID 90683743

IUPACN-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[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)CO)c4ncncc34)c2)nn1
InChIInChI=1S/C23H26N8O3/c1-14(2)19-10-30(29-28-19)11-20(33)27-16-5-15(6-24-7-16)21(34)18-9-31(23(3,4)12-32)22-17(18)8-25-13-26-22/h5-10,13-14,32H,11-12H2,1-4H3,(H,27,33)
InChIKeyUWHVDFQRTWVIDO-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.14
Rot. Bonds8

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

N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 90683743) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID90683743
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC NameN-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[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)CO)c4ncncc34)c2)nn1
InChIInChI=1S/C23H26N8O3/c1-14(2)19-10-30(29-28-19)11-20(33)27-16-5-15(6-24-7-16)21(34)18-9-31(23(3,4)12-32)22-17(18)8-25-13-26-22/h5-10,13-14,32H,11-12H2,1-4H3,(H,27,33)
InChIKeyUWHVDFQRTWVIDO-UHFFFAOYSA-N
XLogP2.14
TPSA140.71 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 90683743) is N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[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-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[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)CO)c4ncncc34)c2)nn1.
What is the InChIKey of N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is UWHVDFQRTWVIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-14(2)19-10-30(29-28-19)11-20(33)27-16-5-15(6-24-7-16)21(34)18-9-31(23(3,4)12-32)22-17(18)8-25-13-26-22/h5-10,13-14,32H,11-12H2,1-4H3,(H,27,33).
What are the key properties of N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 90683743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).