7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one

C94H104FN17O14 — CID 159783674

IUPAC7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one
SMILESCCN(CC)CCOc1ccc2cc(-c3cn4cc(C)nc(C)c4n3)c(=O)oc2c1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCF)[C@@H](C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(OCCN(CCO)CCO)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(O[C@@H]5CCN(C(C)CO)C5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C24H26FN5O2.C24H26N4O4.C23H26N4O5.C23H26N4O3/c1-15-12-30-14-21(27-23(30)17(3)26-15)20-10-18-4-5-19(11-22(18)32-24(20)31)29-9-8-28(7-6-25)16(2)13-29;1-14-10-28-12-21(26-23(28)16(3)25-14)20-8-17-4-5-18(9-22(17)32-24(20)30)31-19-6-7-27(11-19)15(2)13-29;1-15-13-27-14-20(25-22(27)16(2)24-15)19-11-17-3-4-18(12-21(17)32-23(19)30)31-10-7-26(5-8-28)6-9-29;1-5-26(6-2)9-10-29-18-8-7-17-11-19(23(28)30-21(17)12-18)20-14-27-13-15(3)24-16(4)22(27)25-20/h4-5,10-12,14,16H,6-9,13H2,1-3H3;4-5,8-10,12,15,19,29H,6-7,11,13H2,1-3H3;3-4,11-14,28-29H,5-10H2,1-2H3;7-8,11-14H,5-6,9-10H2,1-4H3/t16-;15?,19-;;/m01../s1
InChIKeyNHRJDOUDTUTWAU-ATEREFFQSA-N
MW1714.97 g/mol
LogP12.18
Rot. Bonds25

About 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one

7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one (PubChem CID 159783674) has the molecular formula C94H104FN17O14 and a molecular weight of 1714.97 g/mol. Its IUPAC name is 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one.

Molecular Properties

Compound Name7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one
PubChem CID159783674
Molecular FormulaC94H104FN17O14
Molecular Weight1714.97 g/mol
Exact Mass1713.79
IUPAC Name7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one
SMILESCCN(CC)CCOc1ccc2cc(-c3cn4cc(C)nc(C)c4n3)c(=O)oc2c1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCF)[C@@H](C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(OCCN(CCO)CCO)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(O[C@@H]5CCN(C(C)CO)C5)cc4oc3=O)nc2c(C)n1
InChIInChI=1S/C24H26FN5O2.C24H26N4O4.C23H26N4O5.C23H26N4O3/c1-15-12-30-14-21(27-23(30)17(3)26-15)20-10-18-4-5-19(11-22(18)32-24(20)31)29-9-8-28(7-6-25)16(2)13-29;1-14-10-28-12-21(26-23(28)16(3)25-14)20-8-17-4-5-18(9-22(17)32-24(20)30)31-19-6-7-27(11-19)15(2)13-29;1-15-13-27-14-20(25-22(27)16(2)24-15)19-11-17-3-4-18(12-21(17)32-23(19)30)31-10-7-26(5-8-28)6-9-29;1-5-26(6-2)9-10-29-18-8-7-17-11-19(23(28)30-21(17)12-18)20-14-27-13-15(3)24-16(4)22(27)25-20/h4-5,10-12,14,16H,6-9,13H2,1-3H3;4-5,8-10,12,15,19,29H,6-7,11,13H2,1-3H3;3-4,11-14,28-29H,5-10H2,1-2H3;7-8,11-14H,5-6,9-10H2,1-4H3/t16-;15?,19-;;/m01../s1
InChIKeyNHRJDOUDTUTWAU-ATEREFFQSA-N
XLogP12.18
TPSA346.18 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001714.97
LogP ≤ 512.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one?
The IUPAC name of 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one (CID 159783674) is 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one.
What is the SMILES notation for 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one?
The canonical SMILES for 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one is CCN(CC)CCOc1ccc2cc(-c3cn4cc(C)nc(C)c4n3)c(=O)oc2c1.Cc1cn2cc(-c3cc4ccc(N5CCN(CCF)[C@@H](C)C5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(OCCN(CCO)CCO)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(O[C@@H]5CCN(C(C)CO)C5)cc4oc3=O)nc2c(C)n1.
What is the InChIKey of 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one?
The InChIKey is NHRJDOUDTUTWAU-ATEREFFQSA-N. The full InChI is InChI=1S/C24H26FN5O2.C24H26N4O4.C23H26N4O5.C23H26N4O3/c1-15-12-30-14-21(27-23(30)17(3)26-15)20-10-18-4-5-19(11-22(18)32-24(20)31)29-9-8-28(7-6-25)16(2)13-29;1-14-10-28-12-21(26-23(28)16(3)25-14)20-8-17-4-5-18(9-22(17)32-24(20)30)31-19-6-7-27(11-19)15(2)13-29;1-15-13-27-14-20(25-22(27)16(2)24-15)19-11-17-3-4-18(12-21(17)32-23(19)30)31-10-7-26(5-8-28)6-9-29;1-5-26(6-2)9-10-29-18-8-7-17-11-19(23(28)30-21(17)12-18)20-14-27-13-15(3)24-16(4)22(27)25-20/h4-5,10-12,14,16H,6-9,13H2,1-3H3;4-5,8-10,12,15,19,29H,6-7,11,13H2,1-3H3;3-4,11-14,28-29H,5-10H2,1-2H3;7-8,11-14H,5-6,9-10H2,1-4H3/t16-;15?,19-;;/m01../s1.
What are the key properties of 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one?
7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one has a molecular weight of 1714.97 g/mol, XLogP of 12.18, 25 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[bis(2-hydroxyethyl)amino]ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[2-(diethylamino)ethoxy]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3R)-1-(1-hydroxypropan-2-yl)pyrrolidin-3-yl]oxychromen-2-one is sourced from PubChem (CID 159783674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).