5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide

C36H48ClN11O5S — CID 153398327

About 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide

5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide (PubChem CID 153398327) has the molecular formula C36H48ClN11O5S and a molecular weight of 782.37 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide.

Molecular Properties

• Compound Name: 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide
• PubChem CID: 153398327
• Molecular Formula: C36H48ClN11O5S
• Molecular Weight: 782.37 g/mol
• Exact Mass: 781.32
• IUPAC Name: 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide
• SMILES: CNCC(=O)NCCNC(=O)NCc1cc2c(s1)C(=O)N(C1CCC(=O)NC1=O)C2.Cn1ncc(-c2nc(NC3CCCCC3)ncc2Cl)c1CC1CC1
• InChI: InChI=1S/C18H24ClN5.C18H24N6O5S/c1-24-16(9-12-7-8-12)14(10-21-24)17-15(19)11-20-18(23-17)22-13-5-3-2-4-6-13;1-19-8-14(26)20-4-5-21-18(29)22-7-11-6-10-9-24(17(28)15(10)30-11)12-2-3-13(25)23-16(12)27/h10-13H,2-9H2,1H3,(H,20,22,23);6,12,19H,2-5,7-9H2,1H3,(H,20,26)(H2,21,22,29)(H,23,25,27)
• InChIKey: UEALOMQVCZUNIF-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 204.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.37
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide?

The IUPAC name of 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide (CID 153398327) is 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide.

What is the SMILES notation for 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide?

The canonical SMILES for 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide is CNCC(=O)NCCNC(=O)NCc1cc2c(s1)C(=O)N(C1CCC(=O)NC1=O)C2.Cn1ncc(-c2nc(NC3CCCCC3)ncc2Cl)c1CC1CC1.

What is the InChIKey of 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide?

The InChIKey is UEALOMQVCZUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5.C18H24N6O5S/c1-24-16(9-12-7-8-12)14(10-21-24)17-15(19)11-20-18(23-17)22-13-5-3-2-4-6-13;1-19-8-14(26)20-4-5-21-18(29)22-7-11-6-10-9-24(17(28)15(10)30-11)12-2-3-13(25)23-16(12)27/h10-13H,2-9H2,1H3,(H,20,22,23);6,12,19H,2-5,7-9H2,1H3,(H,20,26)(H2,21,22,29)(H,23,25,27).

What are the key properties of 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide?

5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide has a molecular weight of 782.37 g/mol, XLogP of 2.87, 13 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-cyclohexyl-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-amine;N-[2-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[2,3-c]pyrrol-2-yl]methylcarbamoylamino]ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 153398327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).