5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine

C55H47F12N11O7 — CID 162095198

About 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine

5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine (PubChem CID 162095198) has the molecular formula C55H47F12N11O7 and a molecular weight of 1202.03 g/mol. Its IUPAC name is 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine.

Molecular Properties

• Compound Name: 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine
• PubChem CID: 162095198
• Molecular Formula: C55H47F12N11O7
• Molecular Weight: 1202.03 g/mol
• Exact Mass: 1201.35
• IUPAC Name: 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine
• SMILES: Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)CCCC(F)(F)F)n1)C(C)(C)C(=O)N2.Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)O)n1)C(C)(C)C(=O)N2.NCCC(F)(F)F
• InChI: InChI=1S/C28H23F6N5O3.C24H18F3N5O4.C3H6F3N/c1-13-22(39-11-5-7-18(25(39)35-13)42-12-14-15(29)8-9-16(30)20(14)31)24-36-21(17(40)6-4-10-28(32,33)34)19-23(37-24)38-26(41)27(19,2)3;1-10-18(20-29-17(22(33)34)15-19(30-20)31-23(35)24(15,2)3)32-8-4-5-14(21(32)28-10)36-9-11-12(25)6-7-13(26)16(11)27;4-3(5,6)1-2-7/h5,7-9,11H,4,6,10,12H2,1-3H3,(H,36,37,38,41);4-8H,9H2,1-3H3,(H,33,34)(H,29,30,31,35);1-2,7H2
• InChIKey: ZEDPGNLPRCHBLM-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 243.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.03
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine?

The IUPAC name of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine (CID 162095198) is 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine.

What is the SMILES notation for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine?

The canonical SMILES for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine is Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)CCCC(F)(F)F)n1)C(C)(C)C(=O)N2.Cc1nc2c(OCc3c(F)ccc(F)c3F)cccn2c1-c1nc2c(c(C(=O)O)n1)C(C)(C)C(=O)N2.NCCC(F)(F)F.

What is the InChIKey of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine?

The InChIKey is ZEDPGNLPRCHBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F6N5O3.C24H18F3N5O4.C3H6F3N/c1-13-22(39-11-5-7-18(25(39)35-13)42-12-14-15(29)8-9-16(30)20(14)31)24-36-21(17(40)6-4-10-28(32,33)34)19-23(37-24)38-26(41)27(19,2)3;1-10-18(20-29-17(22(33)34)15-19(30-20)31-23(35)24(15,2)3)32-8-4-5-14(21(32)28-10)36-9-11-12(25)6-7-13(26)16(11)27;4-3(5,6)1-2-7/h5,7-9,11H,4,6,10,12H2,1-3H3,(H,36,37,38,41);4-8H,9H2,1-3H3,(H,33,34)(H,29,30,31,35);1-2,7H2.

What are the key properties of 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine?

5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine has a molecular weight of 1202.03 g/mol, XLogP of 11.16, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-6-oxo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;5,5-dimethyl-2-[2-methyl-8-[(2,3,6-trifluorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-4-(5,5,5-trifluoropentanoyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 162095198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).