5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine

C20H18BrFN6 — CID 24745697

IUPAC5-bromo-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CC1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3Br)N)C4=CC=C(C=C4)F
InChIInChI=1S/C20H18BrFN6/c1-27(2)11-12-7-8-28-16(9-12)25-17(13-3-5-14(22)6-4-13)19(28)18-15(21)10-24-20(23)26-18/h3-10H,11H2,1-2H3,(H2,23,24,26)
InChIKeyZTOXZGFRPKZXLT-UHFFFAOYSA-N
MW441.30 g/mol
LogP3.70
Rot. Bonds4

About 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine

5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine (PubChem CID 24745697) has the molecular formula C20H18BrFN6 and a molecular weight of 441.30 g/mol. Its IUPAC name is 5-bromo-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
PubChem CID24745697
Molecular FormulaC20H18BrFN6
Molecular Weight441.30 g/mol
Exact Mass440.08
IUPAC Name5-bromo-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCN(C)CC1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3Br)N)C4=CC=C(C=C4)F
InChIInChI=1S/C20H18BrFN6/c1-27(2)11-12-7-8-28-16(9-12)25-17(13-3-5-14(22)6-4-13)19(28)18-15(21)10-24-20(23)26-18/h3-10H,11H2,1-2H3,(H2,23,24,26)
InChIKeyZTOXZGFRPKZXLT-UHFFFAOYSA-N
XLogP3.70
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity517

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Miransertib
CID 53262401
SB-220025
CID 5164
PF-670462
CID 51049607
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
VK-19911
CID 9797240
SB-242235
CID 9863367
2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626

Frequently Asked Questions

What is the IUPAC name of 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The IUPAC name of 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine (CID 24745697) is 5-bromo-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The canonical SMILES for 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine is CN(C)CC1=CC2=NC(=C(N2C=C1)C3=NC(=NC=C3Br)N)C4=CC=C(C=C4)F.
What is the InChIKey of 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
The InChIKey is ZTOXZGFRPKZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN6/c1-27(2)11-12-7-8-28-16(9-12)25-17(13-3-5-14(22)6-4-13)19(28)18-15(21)10-24-20(23)26-18/h3-10H,11H2,1-2H3,(H2,23,24,26).
What are the key properties of 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine?
5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine has a molecular weight of 441.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Bromo-4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine is sourced from PubChem (CID 24745697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).