3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one

C108H103F9N20O10 — CID 162012177

About 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one

3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one (PubChem CID 162012177) has the molecular formula C108H103F9N20O10 and a molecular weight of 2012.12 g/mol. Its IUPAC name is 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one
• PubChem CID: 162012177
• Molecular Formula: C108H103F9N20O10
• Molecular Weight: 2012.12 g/mol
• Exact Mass: 2010.80
• IUPAC Name: 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one
• SMILES: CC(C)c1nccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)n1.CN1CCCN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4ccc(C(F)(F)F)cc4n3)c(=O)oc2c1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2ccc(C(F)(F)F)cc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccnc(C2CC2)n1
• InChI: InChI=1S/2C23H21F3N4O2.C22H19F3N4O2.C20H20N4O2.C20H22N4O2/c1-13-11-30(14(2)10-27-13)17-4-3-15-7-18(22(31)32-20(15)9-17)19-12-29-6-5-16(23(24,25)26)8-21(29)28-19;1-28-6-2-7-29(10-9-28)17-4-3-15-11-18(22(31)32-20(15)13-17)19-14-30-8-5-16(23(24,25)26)12-21(30)27-19;23-22(24,25)15-4-8-29-13-18(27-20(29)11-15)17-10-14-2-3-16(12-19(14)31-21(17)30)28-7-1-5-26-6-9-28;25-20-16(17-5-6-22-19(23-17)13-1-2-13)11-14-3-4-15(12-18(14)26-20)24-9-7-21-8-10-24;1-13(2)19-22-6-5-17(23-19)16-11-14-3-4-15(12-18(14)26-20(16)25)24-9-7-21-8-10-24/h3-9,12-14,27H,10-11H2,1-2H3;3-5,8,11-14H,2,6-7,9-10H2,1H3;2-4,8,10-13,26H,1,5-7,9H2;3-6,11-13,21H,1-2,7-10H2;3-6,11-13,21H,7-10H2,1-2H3/t13-,14+;;;;/m0..../s1
• InChIKey: YTPSFWGLQCJTFS-CIGCOMLQSA-N
• XLogP: 17.83
• TPSA: 322.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.12
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one?

The IUPAC name of 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one (CID 162012177) is 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one.

What is the SMILES notation for 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one?

The canonical SMILES for 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one is CC(C)c1nccc(-c2cc3ccc(N4CCNCC4)cc3oc2=O)n1.CN1CCCN(c2ccc3cc(-c4cn5ccc(C(F)(F)F)cc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4ccc(C(F)(F)F)cc4n3)c(=O)oc2c1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2ccc(C(F)(F)F)cc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccnc(C2CC2)n1.

What is the InChIKey of 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one?

The InChIKey is YTPSFWGLQCJTFS-CIGCOMLQSA-N. The full InChI is InChI=1S/2C23H21F3N4O2.C22H19F3N4O2.C20H20N4O2.C20H22N4O2/c1-13-11-30(14(2)10-27-13)17-4-3-15-7-18(22(31)32-20(15)9-17)19-12-29-6-5-16(23(24,25)26)8-21(29)28-19;1-28-6-2-7-29(10-9-28)17-4-3-15-11-18(22(31)32-20(15)13-17)19-14-30-8-5-16(23(24,25)26)12-21(30)27-19;23-22(24,25)15-4-8-29-13-18(27-20(29)11-15)17-10-14-2-3-16(12-19(14)31-21(17)30)28-7-1-5-26-6-9-28;25-20-16(17-5-6-22-19(23-17)13-1-2-13)11-14-3-4-15(12-18(14)26-20)24-9-7-21-8-10-24;1-13(2)19-22-6-5-17(23-19)16-11-14-3-4-15(12-18(14)26-20(16)25)24-9-7-21-8-10-24/h3-9,12-14,27H,10-11H2,1-2H3;3-5,8,11-14H,2,6-7,9-10H2,1H3;2-4,8,10-13,26H,1,5-7,9H2;3-6,11-13,21H,1-2,7-10H2;3-6,11-13,21H,7-10H2,1-2H3/t13-,14+;;;;/m0..../s1.

What are the key properties of 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one?

3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one has a molecular weight of 2012.12 g/mol, XLogP of 17.83, 12 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-cyclopropylpyrimidin-4-yl)-7-piperazin-1-ylchromen-2-one;7-(1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one;7-piperazin-1-yl-3-(2-propan-2-ylpyrimidin-4-yl)chromen-2-one is sourced from PubChem (CID 162012177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).