(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one

C49H52Cl2N8O9 — CID 157445580

About (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 157445580) has the molecular formula C49H52Cl2N8O9 and a molecular weight of 967.91 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 157445580
• Molecular Formula: C49H52Cl2N8O9
• Molecular Weight: 967.91 g/mol
• Exact Mass: 966.32
• IUPAC Name: (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: COc1ccc(-c2cn3ncc(Cl)c3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(OC)c(OC)c4)cn4ncc(Cl)c34)CC2=O)cc1
• InChI: InChI=1S/C29H31ClN4O5.C20H21ClN4O4/c1-17(19-6-9-22(36-3)10-7-19)33-15-21(13-27(33)35)18(2)39-29-28-23(30)14-31-34(28)16-24(32-29)20-8-11-25(37-4)26(12-20)38-5;1-11(13-7-18(26)22-8-13)29-20-19-14(21)9-23-25(19)10-15(24-20)12-4-5-16(27-2)17(6-12)28-3/h6-12,14,16-18,21H,13,15H2,1-5H3;4-6,9-11,13H,7-8H2,1-3H3,(H,22,26)/t17-,18-,21-;11-,13-/m11/s1
• InChIKey: BSEIXNZOKUKLKH-NGHSAFGKSA-N
• XLogP: 8.42
• TPSA: 174.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.91
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one (CID 157445580) is (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc(-c2cn3ncc(Cl)c3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(OC)c(OC)c4)cn4ncc(Cl)c34)CC2=O)cc1.

What is the InChIKey of (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is BSEIXNZOKUKLKH-NGHSAFGKSA-N. The full InChI is InChI=1S/C29H31ClN4O5.C20H21ClN4O4/c1-17(19-6-9-22(36-3)10-7-19)33-15-21(13-27(33)35)18(2)39-29-28-23(30)14-31-34(28)16-24(32-29)20-8-11-25(37-4)26(12-20)38-5;1-11(13-7-18(26)22-8-13)29-20-19-14(21)9-23-25(19)10-15(24-20)12-4-5-16(27-2)17(6-12)28-3/h6-12,14,16-18,21H,13,15H2,1-5H3;4-6,9-11,13H,7-8H2,1-3H3,(H,22,26)/t17-,18-,21-;11-,13-/m11/s1.

What are the key properties of (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 967.91 g/mol, XLogP of 8.42, 15 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 157445580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).