About [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone (PubChem CID 58497353) has the molecular formula C23H26ClFN6O
and a molecular weight of 456.95 g/mol. Its IUPAC name is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone.
Molecular Properties
| Compound Name | [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone |
|---|
| PubChem CID | 58497353 |
|---|
| Molecular Formula | C23H26ClFN6O |
|---|
| Molecular Weight | 456.95 g/mol |
|---|
| Exact Mass | 456.18 |
|---|
| IUPAC Name | [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone |
|---|
| SMILES | Cc1cc(Nc2cc(Nc3ccc(F)cc3C(=O)N3CCCC3)c(Cl)cn2)n(C(C)C)n1 |
|---|
| InChI | InChI=1S/C23H26ClFN6O/c1-14(2)31-22(10-15(3)29-31)28-21-12-20(18(24)13-26-21)27-19-7-6-16(25)11-17(19)23(32)30-8-4-5-9-30/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,26,27,28) |
|---|
| InChIKey | NYZIZUPINUXBJL-UHFFFAOYSA-N |
|---|
| XLogP | 5.68 |
|---|
| TPSA | 75.08 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 456.95 |
| LogP ≤ 5 | 5.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone 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-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone (CID 58497353) is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone is Cc1cc(Nc2cc(Nc3ccc(F)cc3C(=O)N3CCCC3)c(Cl)cn2)n(C(C)C)n1.
What is the InChIKey of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is NYZIZUPINUXBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O/c1-14(2)31-22(10-15(3)29-31)28-21-12-20(18(24)13-26-21)27-19-7-6-16(25)11-17(19)23(32)30-8-4-5-9-30/h6-7,10-14H,4-5,8-9H2,1-3H3,(H2,26,27,28).
What are the key properties of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone?
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 456.95 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-fluorophenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 58497353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).