5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile

C25H22FN7O2 — CID 139346195

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESN#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C25H22FN7O2/c26-20-2-3-22-17(5-8-35-22)19(20)14-30-25-29-13-18(24-21(11-27)31-15-33(24)25)16-1-4-23(28-12-16)32-6-9-34-10-7-32/h1-4,12-13,15H,5-10,14H2,(H,29,30)
InChIKeyMYAQSXVDXIGHBQ-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.19
Rot. Bonds5

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile (PubChem CID 139346195) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
PubChem CID139346195
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile
SMILESN#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C25H22FN7O2/c26-20-2-3-22-17(5-8-35-22)19(20)14-30-25-29-13-18(24-21(11-27)31-15-33(24)25)16-1-4-23(28-12-16)32-6-9-34-10-7-32/h1-4,12-13,15H,5-10,14H2,(H,29,30)
InChIKeyMYAQSXVDXIGHBQ-UHFFFAOYSA-N
XLogP3.19
TPSA100.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile (CID 139346195) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile is N#Cc1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(N4CCOCC4)nc3)c12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
The InChIKey is MYAQSXVDXIGHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c26-20-2-3-22-17(5-8-35-22)19(20)14-30-25-29-13-18(24-21(11-27)31-15-33(24)25)16-1-4-23(28-12-16)32-6-9-34-10-7-32/h1-4,12-13,15H,5-10,14H2,(H,29,30).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile has a molecular weight of 471.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,5-c]pyrimidine-1-carbonitrile is sourced from PubChem (CID 139346195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).