bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane

C111H112F15N29O5 — CID 167619872

About bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane

bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane (PubChem CID 167619872) has the molecular formula C111H112F15N29O5 and a molecular weight of 2217.28 g/mol. Its IUPAC name is bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane.

Molecular Properties

• Compound Name: bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane
• PubChem CID: 167619872
• Molecular Formula: C111H112F15N29O5
• Molecular Weight: 2217.28 g/mol
• Exact Mass: 2215.92
• IUPAC Name: bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane
• SMILES: CC(C)N(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.CCC(CC)C(F)(F)F.CCN(C)CC.COCCN(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N)nc32)cc1
• InChI: InChI=1S/C27H26F3N7O2.C27H26F3N7O.2C23H18F3N7O.C6H11F3.C5H13N/c1-35(11-12-39-3)26-20(5-4-10-31-26)23-32-14-19-13-22(38)37(25(19)34-23)15-17-6-8-18(9-7-17)24-33-21(16-36(24)2)27(28,29)30;1-16(2)36(4)26-20(6-5-11-31-26)23-32-13-19-12-22(38)37(25(19)34-23)14-17-7-9-18(10-8-17)24-33-21(15-35(24)3)27(28,29)30;2*1-32-12-17(23(24,25)26)30-21(32)14-6-4-13(5-7-14)11-33-18(34)9-15-10-29-20(31-22(15)33)16-3-2-8-28-19(16)27;1-3-5(4-2)6(7,8)9;1-4-6(3)5-2/h4-10,14,16H,11-13,15H2,1-3H3;5-11,13,15-16H,12,14H2,1-4H3;2*2-8,10,12H,9,11H2,1H3,(H2,27,28);5H,3-4H2,1-2H3;4-5H2,1-3H3
• InChIKey: MHBCNKSIWCBNGN-UHFFFAOYSA-N
• XLogP: 20.22
• TPSA: 378.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2217.28
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane?

The IUPAC name of bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane (CID 167619872) is bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane.

What is the SMILES notation for bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane?

The canonical SMILES for bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane is CC(C)N(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.CCC(CC)C(F)(F)F.CCN(C)CC.COCCN(C)c1ncccc1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)C2.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N)nc32)cc1.Cn1cc(C(F)(F)F)nc1-c1ccc(CN2C(=O)Cc3cnc(-c4cccnc4N)nc32)cc1.

What is the InChIKey of bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane?

The InChIKey is MHBCNKSIWCBNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7O2.C27H26F3N7O.2C23H18F3N7O.C6H11F3.C5H13N/c1-35(11-12-39-3)26-20(5-4-10-31-26)23-32-14-19-13-22(38)37(25(19)34-23)15-17-6-8-18(9-7-17)24-33-21(16-36(24)2)27(28,29)30;1-16(2)36(4)26-20(6-5-11-31-26)23-32-13-19-12-22(38)37(25(19)34-23)14-17-7-9-18(10-8-17)24-33-21(15-35(24)3)27(28,29)30;2*1-32-12-17(23(24,25)26)30-21(32)14-6-4-13(5-7-14)11-33-18(34)9-15-10-29-20(31-22(15)33)16-3-2-8-28-19(16)27;1-3-5(4-2)6(7,8)9;1-4-6(3)5-2/h4-10,14,16H,11-13,15H2,1-3H3;5-11,13,15-16H,12,14H2,1-4H3;2*2-8,10,12H,9,11H2,1H3,(H2,27,28);5H,3-4H2,1-2H3;4-5H2,1-3H3.

What are the key properties of bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane?

bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane has a molecular weight of 2217.28 g/mol, XLogP of 20.22, 26 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2-amino-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one);N-ethyl-N-methylethanamine;2-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;3-(trifluoromethyl)pentane is sourced from PubChem (CID 167619872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).