2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol

C23H20F3N5O2 — CID 139346190

IUPAC2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol
SMILESCc1nc(C(F)(F)CO)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C23H20F3N5O2/c1-13-14(2-5-21(30-13)23(25,26)11-32)17-9-29-22(31-12-27-10-19(17)31)28-8-16-15-6-7-33-20(15)4-3-18(16)24/h2-5,9-10,12,32H,6-8,11H2,1H3,(H,28,29)
InChIKeyAYICMEKSRPCURW-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.87
Rot. Bonds6

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

2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol (PubChem CID 139346190) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol
PubChem CID139346190
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol
SMILESCc1nc(C(F)(F)CO)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C23H20F3N5O2/c1-13-14(2-5-21(30-13)23(25,26)11-32)17-9-29-22(31-12-27-10-19(17)31)28-8-16-15-6-7-33-20(15)4-3-18(16)24/h2-5,9-10,12,32H,6-8,11H2,1H3,(H,28,29)
InChIKeyAYICMEKSRPCURW-UHFFFAOYSA-N
XLogP3.87
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol?
The IUPAC name of 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol (CID 139346190) is 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol?
The canonical SMILES for 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol is Cc1nc(C(F)(F)CO)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol?
The InChIKey is AYICMEKSRPCURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-13-14(2-5-21(30-13)23(25,26)11-32)17-9-29-22(31-12-27-10-19(17)31)28-8-16-15-6-7-33-20(15)4-3-18(16)24/h2-5,9-10,12,32H,6-8,11H2,1H3,(H,28,29).
What are the key properties of 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol?
2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol has a molecular weight of 455.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]ethanol is sourced from PubChem (CID 139346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).