[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone

C21H20FN7O — CID 138689236

IUPAC[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESNc1nc2c(F)cccc2c2nc(CC3CCN(C(=O)c4ncccn4)CC3)cn12
InChIInChI=1S/C21H20FN7O/c22-16-4-1-3-15-17(16)27-21(23)29-12-14(26-19(15)29)11-13-5-9-28(10-6-13)20(30)18-24-7-2-8-25-18/h1-4,7-8,12-13H,5-6,9-11H2,(H2,23,27)
InChIKeyAVXDGOILOURYSK-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.49
Rot. Bonds3

About [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone

[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 138689236) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID138689236
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC Name[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESNc1nc2c(F)cccc2c2nc(CC3CCN(C(=O)c4ncccn4)CC3)cn12
InChIInChI=1S/C21H20FN7O/c22-16-4-1-3-15-17(16)27-21(23)29-12-14(26-19(15)29)11-13-5-9-28(10-6-13)20(30)18-24-7-2-8-25-18/h1-4,7-8,12-13H,5-6,9-11H2,(H2,23,27)
InChIKeyAVXDGOILOURYSK-UHFFFAOYSA-N
XLogP2.49
TPSA102.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone (CID 138689236) is [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone is Nc1nc2c(F)cccc2c2nc(CC3CCN(C(=O)c4ncccn4)CC3)cn12.
What is the InChIKey of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is AVXDGOILOURYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c22-16-4-1-3-15-17(16)27-21(23)29-12-14(26-19(15)29)11-13-5-9-28(10-6-13)20(30)18-24-7-2-8-25-18/h1-4,7-8,12-13H,5-6,9-11H2,(H2,23,27).
What are the key properties of [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone?
[4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 405.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 138689236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).