About 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (PubChem CID 90683974) has the molecular formula C23H19ClN6O3
and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
Molecular Properties
| Compound Name | 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide |
|---|
| PubChem CID | 90683974 |
|---|
| Molecular Formula | C23H19ClN6O3 |
|---|
| Molecular Weight | 462.90 g/mol |
|---|
| Exact Mass | 462.12 |
|---|
| IUPAC Name | 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide |
|---|
| SMILES | O=C(Cc1ccc(Cl)cn1)Nc1cncc(C(=O)c2cn(C3(CO)CC3)c3ncncc23)c1 |
|---|
| InChI | InChI=1S/C23H19ClN6O3/c24-15-1-2-16(27-8-15)6-20(32)29-17-5-14(7-25-9-17)21(33)19-11-30(23(12-31)3-4-23)22-18(19)10-26-13-28-22/h1-2,5,7-11,13,31H,3-4,6,12H2,(H,29,32) |
|---|
| InChIKey | PELBVQZIOMSWDQ-UHFFFAOYSA-N |
|---|
| XLogP | 2.77 |
|---|
| TPSA | 122.89 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 462.90 |
| LogP ≤ 5 | 2.77 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide 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 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (CID 90683974) is 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is O=C(Cc1ccc(Cl)cn1)Nc1cncc(C(=O)c2cn(C3(CO)CC3)c3ncncc23)c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is PELBVQZIOMSWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O3/c24-15-1-2-16(27-8-15)6-20(32)29-17-5-14(7-25-9-17)21(33)19-11-30(23(12-31)3-4-23)22-18(19)10-26-13-28-22/h1-2,5,7-11,13,31H,3-4,6,12H2,(H,29,32).
What are the key properties of 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 462.90 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-N-[5-[7-[1-(hydroxymethyl)cyclopropyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 90683974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).