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

C22H20FN5O2 — CID 139346327

IUPAC[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(CO)c12
InChIInChI=1S/C22H20FN5O2/c1-13-14(3-2-7-24-13)17-10-26-22(28-12-27-19(11-29)21(17)28)25-9-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,10,12,29H,6,8-9,11H2,1H3,(H,25,26)
InChIKeyKNONDVBPBAVBKN-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.28
Rot. Bonds5

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

[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol (PubChem CID 139346327) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol.

Molecular Properties

Compound Name[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol
PubChem CID139346327
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol
SMILESCc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(CO)c12
InChIInChI=1S/C22H20FN5O2/c1-13-14(3-2-7-24-13)17-10-26-22(28-12-27-19(11-29)21(17)28)25-9-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,10,12,29H,6,8-9,11H2,1H3,(H,25,26)
InChIKeyKNONDVBPBAVBKN-UHFFFAOYSA-N
XLogP3.28
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

Mak-683
CID 121412508
8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 146681125
8-(6-cyclopropylpyridin-3-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
CID 146681126
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
US10676479, Example 10
CID 139346214
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156011318
8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156012299
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-(6-methylsulfonyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
CID 156015361
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156017861
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156018385

Frequently Asked Questions

What is the IUPAC name of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol?
The IUPAC name of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol (CID 139346327) is [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol.
What is the SMILES notation for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol?
The canonical SMILES for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol is Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnc(CO)c12.
What is the InChIKey of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol?
The InChIKey is KNONDVBPBAVBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-13-14(3-2-7-24-13)17-10-26-22(28-12-27-19(11-29)21(17)28)25-9-16-15-6-8-30-20(15)5-4-18(16)23/h2-5,7,10,12,29H,6,8-9,11H2,1H3,(H,25,26).
What are the key properties of [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol?
[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol has a molecular weight of 405.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-(2-methyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-1-yl]methanol is sourced from PubChem (CID 139346327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).