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

C23H25FN6 — CID 11741968

IUPAC4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CC(C)(C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6/c1-23(2,14-29(3)4)16-10-12-30-19(13-16)28-20(15-5-7-17(24)8-6-15)21(30)18-9-11-26-22(25)27-18/h5-13H,14H2,1-4H3,(H2,25,26,27)
InChIKeyYJHUXVPTXZVJBR-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.02
Rot. Bonds5

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

4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 11741968) has the molecular formula C23H25FN6 and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID11741968
Molecular FormulaC23H25FN6
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CC(C)(C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C23H25FN6/c1-23(2,14-29(3)4)16-10-12-30-19(13-16)28-20(15-5-7-17(24)8-6-15)21(30)18-9-11-26-22(25)27-18/h5-13H,14H2,1-4H3,(H2,25,26,27)
InChIKeyYJHUXVPTXZVJBR-UHFFFAOYSA-N
XLogP4.02
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 11741968) is 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CN(C)CC(C)(C)c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is YJHUXVPTXZVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6/c1-23(2,14-29(3)4)16-10-12-30-19(13-16)28-20(15-5-7-17(24)8-6-15)21(30)18-9-11-26-22(25)27-18/h5-13H,14H2,1-4H3,(H2,25,26,27).
What are the key properties of 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 404.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-(dimethylamino)-2-methylpropan-2-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 11741968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).