5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C13H15ClFN5 — CID 155282172

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c1CN(c1nc(Cl)ncc1F)CC2
InChIInChI=1S/C13H15ClFN5/c1-8(2)20-7-17-10-3-4-19(6-11(10)20)12-9(15)5-16-13(14)18-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBKPJYKVLLZGYSS-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.61
Rot. Bonds2

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 155282172) has the molecular formula C13H15ClFN5 and a molecular weight of 295.75 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID155282172
Molecular FormulaC13H15ClFN5
Molecular Weight295.75 g/mol
Exact Mass295.10
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2c1CN(c1nc(Cl)ncc1F)CC2
InChIInChI=1S/C13H15ClFN5/c1-8(2)20-7-17-10-3-4-19(6-11(10)20)12-9(15)5-16-13(14)18-12/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBKPJYKVLLZGYSS-UHFFFAOYSA-N
XLogP2.61
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 155282172) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)n1cnc2c1CN(c1nc(Cl)ncc1F)CC2.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is BKPJYKVLLZGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN5/c1-8(2)20-7-17-10-3-4-19(6-11(10)20)12-9(15)5-16-13(14)18-12/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 295.75 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 155282172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).