5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine

C21H21FN6O — CID 86269614

IUPAC5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(-c2nc3ccncc3n2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H21FN6O/c1-14(2)29-10-9-24-21-25-11-15(12-26-21)20-27-18-7-8-23-13-19(18)28(20)17-5-3-16(22)4-6-17/h3-8,11-14H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyVUPACZLWPZMARP-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.85
Rot. Bonds7

About 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine

5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine (PubChem CID 86269614) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine
PubChem CID86269614
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(-c2nc3ccncc3n2-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H21FN6O/c1-14(2)29-10-9-24-21-25-11-15(12-26-21)20-27-18-7-8-23-13-19(18)28(20)17-5-3-16(22)4-6-17/h3-8,11-14H,9-10H2,1-2H3,(H,24,25,26)
InChIKeyVUPACZLWPZMARP-UHFFFAOYSA-N
XLogP3.85
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine?
The IUPAC name of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine (CID 86269614) is 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine is CC(C)OCCNc1ncc(-c2nc3ccncc3n2-c2ccc(F)cc2)cn1.
What is the InChIKey of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine?
The InChIKey is VUPACZLWPZMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-14(2)29-10-9-24-21-25-11-15(12-26-21)20-27-18-7-8-23-13-19(18)28(20)17-5-3-16(22)4-6-17/h3-8,11-14H,9-10H2,1-2H3,(H,24,25,26).
What are the key properties of 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine?
5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine has a molecular weight of 392.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-N-(2-propan-2-yloxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 86269614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).