7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one

C94H103N19O10 — CID 157228461

About 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one

7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one (PubChem CID 157228461) has the molecular formula C94H103N19O10 and a molecular weight of 1658.98 g/mol. Its IUPAC name is 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one.

Molecular Properties

• Compound Name: 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one
• PubChem CID: 157228461
• Molecular Formula: C94H103N19O10
• Molecular Weight: 1658.98 g/mol
• Exact Mass: 1657.81
• IUPAC Name: 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one
• SMILES: CCN1CC[C@@H](Nc2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H](O)[C@H](N(C)C)C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(C(C)C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(CCO)C5)cc4oc3=O)nc2c(C)n1
• InChI: InChI=1S/C24H27N5O2.C24H26N4O3.C23H25N5O3.C23H25N5O2/c1-14(2)28-8-7-19(12-28)26-18-6-5-17-9-20(24(30)31-22(17)10-18)21-13-29-11-15(3)25-16(4)23(29)27-21;1-14-10-28-11-17(8-20(28)15(2)25-14)19-7-16-5-6-18(9-23(16)31-24(19)30)27-12-21(26(3)4)22(29)13-27;1-14-11-28-13-20(26-22(28)15(2)24-14)19-9-16-3-4-17(10-21(16)31-23(19)30)25-18-5-6-27(12-18)7-8-29;1-4-27-8-7-18(12-27)25-17-6-5-16-9-19(23(29)30-21(16)10-17)20-13-28-11-14(2)24-15(3)22(28)26-20/h5-6,9-11,13-14,19,26H,7-8,12H2,1-4H3;5-11,21-22,29H,12-13H2,1-4H3;3-4,9-11,13,18,25,29H,5-8,12H2,1-2H3;5-6,9-11,13,18,25H,4,7-8,12H2,1-3H3/t19-;21-,22-;2*18-/m1111/s1
• InChIKey: ATVFBUHMOKPUBH-OPDMQMQBSA-N
• XLogP: 13.07
• TPSA: 321.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.98
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one?

The IUPAC name of 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one (CID 157228461) is 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one.

What is the SMILES notation for 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one?

The canonical SMILES for 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one is CCN1CC[C@@H](Nc2ccc3cc(-c4cn5cc(C)nc(C)c5n4)c(=O)oc3c2)C1.Cc1cn2cc(-c3cc4ccc(N5C[C@@H](O)[C@H](N(C)C)C5)cc4oc3=O)cc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(C(C)C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCN(CCO)C5)cc4oc3=O)nc2c(C)n1.

What is the InChIKey of 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one?

The InChIKey is ATVFBUHMOKPUBH-OPDMQMQBSA-N. The full InChI is InChI=1S/C24H27N5O2.C24H26N4O3.C23H25N5O3.C23H25N5O2/c1-14(2)28-8-7-19(12-28)26-18-6-5-17-9-20(24(30)31-22(17)10-18)21-13-29-11-15(3)25-16(4)23(29)27-21;1-14-10-28-11-17(8-20(28)15(2)25-14)19-7-16-5-6-18(9-23(16)31-24(19)30)27-12-21(26(3)4)22(29)13-27;1-14-11-28-13-20(26-22(28)15(2)24-14)19-9-16-3-4-17(10-21(16)31-23(19)30)25-18-5-6-27(12-18)7-8-29;1-4-27-8-7-18(12-27)25-17-6-5-16-9-19(23(29)30-21(16)10-17)20-13-28-11-14(2)24-15(3)22(28)26-20/h5-6,9-11,13-14,19,26H,7-8,12H2,1-4H3;5-11,21-22,29H,12-13H2,1-4H3;3-4,9-11,13,18,25,29H,5-8,12H2,1-2H3;5-6,9-11,13,18,25H,4,7-8,12H2,1-3H3/t19-;21-,22-;2*18-/m1111/s1.

What are the key properties of 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one?

7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one has a molecular weight of 1658.98 g/mol, XLogP of 13.07, 16 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-ethylpyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-(2-hydroxyethyl)pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]amino]chromen-2-one is sourced from PubChem (CID 157228461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).