[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide

C131H136N28O12 — CID 158717425

About [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide

[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 158717425) has the molecular formula C131H136N28O12 and a molecular weight of 2294.71 g/mol. Its IUPAC name is [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

• Compound Name: [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide
• PubChem CID: 158717425
• Molecular Formula: C131H136N28O12
• Molecular Weight: 2294.71 g/mol
• Exact Mass: 2293.09
• IUPAC Name: [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide
• SMILES: CC(C)NC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN1CCN(C(=O)c2ccc3c(c2)CC(C2=Nc4cc(-c5ccnc(N)n5)ccc4C2)CO3)CC1.COCCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.Nc1nccc(-c2ccc3c(c2)N=C(C2COc4ccc(C(=O)NCCN5CCOCC5)cc4C2)C3)n1
• InChI: InChI=1S/C28H30N6O3.C27H28N6O2.C26H28N6O2.C25H25N5O3.C25H25N5O2/c29-28-31-6-5-23(33-28)18-1-2-19-16-25(32-24(19)15-18)22-14-21-13-20(3-4-26(21)37-17-22)27(35)30-7-8-34-9-11-36-12-10-34;1-32-8-10-33(11-9-32)26(34)19-4-5-25-20(12-19)13-21(16-35-25)24-15-18-3-2-17(14-23(18)30-24)22-6-7-29-27(28)31-22;1-32(2)10-9-28-25(33)18-5-6-24-19(11-18)12-20(15-34-24)23-14-17-4-3-16(13-22(17)30-23)21-7-8-29-26(27)31-21;1-32-9-8-27-24(31)17-4-5-23-18(10-17)11-19(14-33-23)22-13-16-3-2-15(12-21(16)29-22)20-6-7-28-25(26)30-20;1-14(2)28-24(31)17-5-6-23-18(9-17)10-19(13-32-23)22-12-16-4-3-15(11-21(16)29-22)20-7-8-27-25(26)30-20/h1-6,13,15,22H,7-12,14,16-17H2,(H,30,35)(H2,29,31,33);2-7,12,14,21H,8-11,13,15-16H2,1H3,(H2,28,29,31);3-8,11,13,20H,9-10,12,14-15H2,1-2H3,(H,28,33)(H2,27,29,31);2-7,10,12,19H,8-9,11,13-14H2,1H3,(H,27,31)(H2,26,28,30);3-9,11,14,19H,10,12-13H2,1-2H3,(H,28,31)(H2,26,27,30)
• InChIKey: IJMLJGJZQHZGRT-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 531.84 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2294.71
LogP ≤ 5	15.28
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide?

The IUPAC name of [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide (CID 158717425) is [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide.

What is the SMILES notation for [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide?

The canonical SMILES for [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide is CC(C)NC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN(C)CCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.CN1CCN(C(=O)c2ccc3c(c2)CC(C2=Nc4cc(-c5ccnc(N)n5)ccc4C2)CO3)CC1.COCCNC(=O)c1ccc2c(c1)CC(C1=Nc3cc(-c4ccnc(N)n4)ccc3C1)CO2.Nc1nccc(-c2ccc3c(c2)N=C(C2COc4ccc(C(=O)NCCN5CCOCC5)cc4C2)C3)n1.

What is the InChIKey of [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide?

The InChIKey is IJMLJGJZQHZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3.C27H28N6O2.C26H28N6O2.C25H25N5O3.C25H25N5O2/c29-28-31-6-5-23(33-28)18-1-2-19-16-25(32-24(19)15-18)22-14-21-13-20(3-4-26(21)37-17-22)27(35)30-7-8-34-9-11-36-12-10-34;1-32-8-10-33(11-9-32)26(34)19-4-5-25-20(12-19)13-21(16-35-25)24-15-18-3-2-17(14-23(18)30-24)22-6-7-29-27(28)31-22;1-32(2)10-9-28-25(33)18-5-6-24-19(11-18)12-20(15-34-24)23-14-17-4-3-16(13-22(17)30-23)21-7-8-29-26(27)31-21;1-32-9-8-27-24(31)17-4-5-23-18(10-17)11-19(14-33-23)22-13-16-3-2-15(12-21(16)29-22)20-6-7-28-25(26)30-20;1-14(2)28-24(31)17-5-6-23-18(9-17)10-19(13-32-23)22-12-16-4-3-15(11-21(16)29-22)20-7-8-27-25(26)30-20/h1-6,13,15,22H,7-12,14,16-17H2,(H,30,35)(H2,29,31,33);2-7,12,14,21H,8-11,13,15-16H2,1H3,(H2,28,29,31);3-8,11,13,20H,9-10,12,14-15H2,1-2H3,(H,28,33)(H2,27,29,31);2-7,10,12,19H,8-9,11,13-14H2,1H3,(H,27,31)(H2,26,28,30);3-9,11,14,19H,10,12-13H2,1-2H3,(H,28,31)(H2,26,27,30).

What are the key properties of [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide?

[3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 2294.71 g/mol, XLogP of 15.28, 25 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-3,4-dihydro-2H-chromen-6-yl]-(4-methylpiperazin-1-yl)methanone;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-methoxyethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-chromene-6-carboxamide;3-[6-(2-aminopyrimidin-4-yl)-3H-indol-2-yl]-N-propan-2-yl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 158717425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).