6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine

C20H25N5 — CID 158605857

IUPAC6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2cnc(Cc3ccnc(C4CCCCC4)n3)cc21
InChIInChI=1S/C20H25N5/c1-14(2)25-13-23-18-12-22-17(11-19(18)25)10-16-8-9-21-20(24-16)15-6-4-3-5-7-15/h8-9,11-15H,3-7,10H2,1-2H3
InChIKeyHWFFQQFFMQHPAO-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.44
Rot. Bonds4

About 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine

6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 158605857) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID158605857
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine
SMILESCC(C)n1cnc2cnc(Cc3ccnc(C4CCCCC4)n3)cc21
InChIInChI=1S/C20H25N5/c1-14(2)25-13-23-18-12-22-17(11-19(18)25)10-16-8-9-21-20(24-16)15-6-4-3-5-7-15/h8-9,11-15H,3-7,10H2,1-2H3
InChIKeyHWFFQQFFMQHPAO-UHFFFAOYSA-N
XLogP4.44
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine (CID 158605857) is 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine is CC(C)n1cnc2cnc(Cc3ccnc(C4CCCCC4)n3)cc21.
What is the InChIKey of 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is HWFFQQFFMQHPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14(2)25-13-23-18-12-22-17(11-19(18)25)10-16-8-9-21-20(24-16)15-6-4-3-5-7-15/h8-9,11-15H,3-7,10H2,1-2H3.
What are the key properties of 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine?
6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 335.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclohexylpyrimidin-4-yl)methyl]-1-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 158605857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).