3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine

C29H27FN4O — CID 25261103

IUPAC3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ccn3c(-c4ccnc(-c5ccc(F)cc5)c4)cnc3c2)c1
InChIInChI=1S/C29H27FN4O/c1-33(2)14-4-16-35-26-6-3-5-22(17-26)23-12-15-34-28(20-32-29(34)19-23)24-11-13-31-27(18-24)21-7-9-25(30)10-8-21/h3,5-13,15,17-20H,4,14,16H2,1-2H3
InChIKeyQIXVRLCKXXCGQQ-UHFFFAOYSA-N
MW466.56 g/mol
LogP6.20
Rot. Bonds8

About 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine

3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 25261103) has the molecular formula C29H27FN4O and a molecular weight of 466.56 g/mol. Its IUPAC name is 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID25261103
Molecular FormulaC29H27FN4O
Molecular Weight466.56 g/mol
Exact Mass466.22
IUPAC Name3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ccn3c(-c4ccnc(-c5ccc(F)cc5)c4)cnc3c2)c1
InChIInChI=1S/C29H27FN4O/c1-33(2)14-4-16-35-26-6-3-5-22(17-26)23-12-15-34-28(20-32-29(34)19-23)24-11-13-31-27(18-24)21-7-9-25(30)10-8-21/h3,5-13,15,17-20H,4,14,16H2,1-2H3
InChIKeyQIXVRLCKXXCGQQ-UHFFFAOYSA-N
XLogP6.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine (CID 25261103) is 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(-c2ccn3c(-c4ccnc(-c5ccc(F)cc5)c4)cnc3c2)c1.
What is the InChIKey of 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is QIXVRLCKXXCGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O/c1-33(2)14-4-16-35-26-6-3-5-22(17-26)23-12-15-34-28(20-32-29(34)19-23)24-11-13-31-27(18-24)21-7-9-25(30)10-8-21/h3,5-13,15,17-20H,4,14,16H2,1-2H3.
What are the key properties of 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine?
3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 466.56 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 25261103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).