3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

C23H25FN6O — CID 24746381

IUPAC3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-11-26-23(27-19)25-10-3-13-31/h4-9,11-12,14,31H,3,10,13,15H2,1-2H3,(H,25,26,27)
InChIKeyYIWVEDZKTJZXNV-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.45
Rot. Bonds8

About 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol

3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 24746381) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
PubChem CID24746381
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol
SMILESCN(C)Cc1ccn2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-11-26-23(27-19)25-10-3-13-31/h4-9,11-12,14,31H,3,10,13,15H2,1-2H3,(H,25,26,27)
InChIKeyYIWVEDZKTJZXNV-UHFFFAOYSA-N
XLogP3.45
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
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 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol (CID 24746381) is 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol is CN(C)Cc1ccn2c(-c3ccnc(NCCCO)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is YIWVEDZKTJZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-29(2)15-16-9-12-30-20(14-16)28-21(17-4-6-18(24)7-5-17)22(30)19-8-11-26-23(27-19)25-10-3-13-31/h4-9,11-12,14,31H,3,10,13,15H2,1-2H3,(H,25,26,27).
What are the key properties of 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol?
3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 420.49 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 24746381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).