7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine

C26H27F2N7 — CID 157218631

About 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine

7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 157218631) has the molecular formula C26H27F2N7 and a molecular weight of 475.55 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 157218631
• Molecular Formula: C26H27F2N7
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.23
• IUPAC Name: 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CNc1nc(Cc2cnc(-n3cnc(C)c3)c(C)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1
• InChI: InChI=1S/C26H27F2N7/c1-15-8-17(11-30-24(15)34-12-16(2)31-14-34)9-21-32-23(29-5)22-25(33-21)35(13-26(22,3)4)18-6-7-19(27)20(28)10-18/h6-8,10-12,14H,9,13H2,1-5H3,(H,29,32,33)
• InChIKey: RFVDMOVHVMWHSM-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 157218631) is 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine is CNc1nc(Cc2cnc(-n3cnc(C)c3)c(C)c2)nc2c1C(C)(C)CN2c1ccc(F)c(F)c1.

What is the InChIKey of 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is RFVDMOVHVMWHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7/c1-15-8-17(11-30-24(15)34-12-16(2)31-14-34)9-21-32-23(29-5)22-25(33-21)35(13-26(22,3)4)18-6-7-19(27)20(28)10-18/h6-8,10-12,14H,9,13H2,1-5H3,(H,29,32,33).

What are the key properties of 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine?

7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 475.55 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-difluorophenyl)-N,5,5-trimethyl-2-[[5-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]methyl]-6H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157218631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).