2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide

C48H51Cl3FN13O3 — CID 158292688

About 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide

2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide (PubChem CID 158292688) has the molecular formula C48H51Cl3FN13O3 and a molecular weight of 983.38 g/mol. Its IUPAC name is 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide
• PubChem CID: 158292688
• Molecular Formula: C48H51Cl3FN13O3
• Molecular Weight: 983.38 g/mol
• Exact Mass: 981.33
• IUPAC Name: 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide
• SMILES: CC(=O)NCCn1ccc2c(CCc3ccco3)nc(Cl)nc21.CCN1CCC(n2ccc3c(CCc4ccco4)nc(Cl)nc32)CC1.Cc1[nH]c2nc(Cl)nc(NCc3ccncc3)c2c1F
• InChI: InChI=1S/C19H23ClN4O.C16H17ClN4O2.C13H11ClFN5/c1-2-23-10-7-14(8-11-23)24-12-9-16-17(21-19(20)22-18(16)24)6-5-15-4-3-13-25-15;1-11(22)18-7-9-21-8-6-13-14(19-16(17)20-15(13)21)5-4-12-3-2-10-23-12;1-7-10(15)9-11(19-13(14)20-12(9)18-7)17-6-8-2-4-16-5-3-8/h3-4,9,12-14H,2,5-8,10-11H2,1H3;2-3,6,8,10H,4-5,7,9H2,1H3,(H,18,22);2-5H,6H2,1H3,(H2,17,18,19,20)
• InChIKey: GLNWWSDFSPAIIL-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 186.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	983.38
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide?

The IUPAC name of 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide (CID 158292688) is 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide.

What is the SMILES notation for 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide?

The canonical SMILES for 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide is CC(=O)NCCn1ccc2c(CCc3ccco3)nc(Cl)nc21.CCN1CCC(n2ccc3c(CCc4ccco4)nc(Cl)nc32)CC1.Cc1[nH]c2nc(Cl)nc(NCc3ccncc3)c2c1F.

What is the InChIKey of 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide?

The InChIKey is GLNWWSDFSPAIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O.C16H17ClN4O2.C13H11ClFN5/c1-2-23-10-7-14(8-11-23)24-12-9-16-17(21-19(20)22-18(16)24)6-5-15-4-3-13-25-15;1-11(22)18-7-9-21-8-6-13-14(19-16(17)20-15(13)21)5-4-12-3-2-10-23-12;1-7-10(15)9-11(19-13(14)20-12(9)18-7)17-6-8-2-4-16-5-3-8/h3-4,9,12-14H,2,5-8,10-11H2,1H3;2-3,6,8,10H,4-5,7,9H2,1H3,(H,18,22);2-5H,6H2,1H3,(H2,17,18,19,20).

What are the key properties of 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide?

2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide has a molecular weight of 983.38 g/mol, XLogP of 9.78, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(1-ethylpiperidin-4-yl)-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidine;2-chloro-5-fluoro-6-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[2-[2-chloro-4-[2-(furan-2-yl)ethyl]pyrrolo[2,3-d]pyrimidin-7-yl]ethyl]acetamide is sourced from PubChem (CID 158292688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).