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

C22H18F3N5O — CID 139346194

IUPAC8-[6-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(C(F)F)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C22H18F3N5O/c1-12-13(2-4-18(29-12)21(24)25)16-9-28-22(30-11-26-10-19(16)30)27-8-15-14-6-7-31-20(14)5-3-17(15)23/h2-5,9-11,21H,6-8H2,1H3,(H,27,28)
InChIKeyFSWCLCIVYVNCKT-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.72
Rot. Bonds5

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

8-[6-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (PubChem CID 139346194) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is 8-[6-(difluoromethyl)-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 Name8-[6-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
PubChem CID139346194
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC Name8-[6-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(C(F)F)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C22H18F3N5O/c1-12-13(2-4-18(29-12)21(24)25)16-9-28-22(30-11-26-10-19(16)30)27-8-15-14-6-7-31-20(14)5-3-17(15)23/h2-5,9-11,21H,6-8H2,1H3,(H,27,28)
InChIKeyFSWCLCIVYVNCKT-UHFFFAOYSA-N
XLogP4.72
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(difluoromethyl)-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-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine (CID 139346194) is 8-[6-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of 8-[6-(difluoromethyl)-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 FSWCLCIVYVNCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-12-13(2-4-18(29-12)21(24)25)16-9-28-22(30-11-26-10-19(16)30)27-8-15-14-6-7-31-20(14)5-3-17(15)23/h2-5,9-11,21H,6-8H2,1H3,(H,27,28).
What are the key properties of 8-[6-(difluoromethyl)-2-methyl-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,5-c]pyrimidin-5-amine?
8-[6-(difluoromethyl)-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 425.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(difluoromethyl)-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 139346194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).