8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

C27H27F3N6O — CID 139346174

About 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine

8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346174) has the molecular formula C27H27F3N6O and a molecular weight of 508.55 g/mol. Its IUPAC name is 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
• PubChem CID: 139346174
• Molecular Formula: C27H27F3N6O
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.22
• IUPAC Name: 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
• SMILES: Cc1nc(C(F)(F)CN2CCCC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
• InChI: InChI=1S/C27H27F3N6O/c1-17-18(4-7-25(34-17)27(29,30)15-35-9-2-3-10-35)21-13-33-26(36-16-31-14-23(21)36)32-12-20-19-8-11-37-24(19)6-5-22(20)28/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,32,33)
• InChIKey: NPAKNAXWVZRKLD-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 67.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.55
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The IUPAC name of 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346174) is 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The canonical SMILES for 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is Cc1nc(C(F)(F)CN2CCCC2)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.

What is the InChIKey of 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

The InChIKey is NPAKNAXWVZRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O/c1-17-18(4-7-25(34-17)27(29,30)15-35-9-2-3-10-35)21-13-33-26(36-16-31-14-23(21)36)32-12-20-19-8-11-37-24(19)6-5-22(20)28/h4-7,13-14,16H,2-3,8-12,15H2,1H3,(H,32,33).

What are the key properties of 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?

8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine has a molecular weight of 508.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-(1,1-difluoro-2-pyrrolidin-1-ylethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 139346174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).