About N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide
N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (PubChem CID 121272232) has the molecular formula C21H21F2N7O2
and a molecular weight of 441.44 g/mol. Its IUPAC name is N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide |
|---|
| PubChem CID | 121272232 |
|---|
| Molecular Formula | C21H21F2N7O2 |
|---|
| Molecular Weight | 441.44 g/mol |
|---|
| Exact Mass | 441.17 |
|---|
| IUPAC Name | N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide |
|---|
| SMILES | N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC[C@@H]1C(F)F |
|---|
| InChI | InChI=1S/C21H21F2N7O2/c22-20(23)17-2-1-5-30(17)19(31)11-27-14-6-13(8-25-15(14)7-24)16-9-28-18(10-26-16)29-21(32)12-3-4-12/h6,8-10,12,17,20,27H,1-5,11H2,(H,28,29,32)/t17-/m1/s1 |
|---|
| InChIKey | SWFNJZADVBIJDD-QGZVFWFLSA-N |
|---|
| XLogP | 2.43 |
|---|
| TPSA | 123.90 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 441.44 |
| LogP ≤ 5 | 2.43 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide 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 N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide (CID 121272232) is N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is N#Cc1ncc(-c2cnc(NC(=O)C3CC3)cn2)cc1NCC(=O)N1CCC[C@@H]1C(F)F.
What is the InChIKey of N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
The InChIKey is SWFNJZADVBIJDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21F2N7O2/c22-20(23)17-2-1-5-30(17)19(31)11-27-14-6-13(8-25-15(14)7-24)16-9-28-18(10-26-16)29-21(32)12-3-4-12/h6,8-10,12,17,20,27H,1-5,11H2,(H,28,29,32)/t17-/m1/s1.
What are the key properties of N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide?
N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide has a molecular weight of 441.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-cyano-5-[[2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-2-oxoethyl]amino]-3-pyridinyl]pyrazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121272232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).