4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H23FN6 — CID 24887417

IUPAC4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CCCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6/c1-28(2)12-3-4-15-10-13-29-19(14-15)27-20(16-5-7-17(23)8-6-16)21(29)18-9-11-25-22(24)26-18/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25,26)
InChIKeyQTZYTBOKNVONTM-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.67
Rot. Bonds6

About 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 24887417) has the molecular formula C22H23FN6 and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID24887417
Molecular FormulaC22H23FN6
Molecular Weight390.47 g/mol
Exact Mass390.20
IUPAC Name4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CCCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C22H23FN6/c1-28(2)12-3-4-15-10-13-29-19(14-15)27-20(16-5-7-17(23)8-6-16)21(29)18-9-11-25-22(24)26-18/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25,26)
InChIKeyQTZYTBOKNVONTM-UHFFFAOYSA-N
XLogP3.67
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 57469
CID 57469
CID 46220502
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CID 1530
CID 1530
CID 118023034
CID 118023034
CID 49970
CID 49970
CID 49971
CID 49971
CID 11198924
CID 11198924
CID 54766013
CID 54766013
CID 44557636
CID 44557636
CID 53262401
CID 53262401
CID 5164
CID 5164
CID 10297043
CID 10297043

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 24887417) is 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)CCCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is QTZYTBOKNVONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6/c1-28(2)12-3-4-15-10-13-29-19(14-15)27-20(16-5-7-17(23)8-6-16)21(29)18-9-11-25-22(24)26-18/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25,26).
What are the key properties of 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 390.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 24887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).