5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

C24H23FN6O2 — CID 139346063

IUPAC5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C24H23FN6O2/c1-14-8-20(23(32)30(2)3)27-9-16(14)18-11-29-24(31-13-26-12-21(18)31)28-10-17-15-6-7-33-22(15)5-4-19(17)25/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,28,29)
InChIKeyWCLXXEDRKCRHDV-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.49
Rot. Bonds5

About 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide

5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (PubChem CID 139346063) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
PubChem CID139346063
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
SMILESCc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12
InChIInChI=1S/C24H23FN6O2/c1-14-8-20(23(32)30(2)3)27-9-16(14)18-11-29-24(31-13-26-12-21(18)31)28-10-17-15-6-7-33-22(15)5-4-19(17)25/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,28,29)
InChIKeyWCLXXEDRKCRHDV-UHFFFAOYSA-N
XLogP3.49
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The IUPAC name of 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide (CID 139346063) is 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is Cc1cc(C(=O)N(C)C)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cncc12.
What is the InChIKey of 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
The InChIKey is WCLXXEDRKCRHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-8-20(23(32)30(2)3)27-9-16(14)18-11-29-24(31-13-26-12-21(18)31)28-10-17-15-6-7-33-22(15)5-4-19(17)25/h4-5,8-9,11-13H,6-7,10H2,1-3H3,(H,28,29).
What are the key properties of 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide?
5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,5-c]pyrimidin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide is sourced from PubChem (CID 139346063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).