4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine

C25H29FN6 — CID 58824481

IUPAC4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
SMILESCC(C)[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C25H29FN6/c1-16(2)17(3)28-25-27-12-10-21(29-25)24-23(19-6-8-20(26)9-7-19)30-22-14-18(15-31(4)5)11-13-32(22)24/h6-14,16-17H,15H2,1-5H3,(H,27,28,29)/t17-/m0/s1
InChIKeyUKXXRGAXQDYLGE-KRWDZBQOSA-N
MW432.55 g/mol
LogP5.12
Rot. Bonds7

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

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine (PubChem CID 58824481) has the molecular formula C25H29FN6 and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
PubChem CID58824481
Molecular FormulaC25H29FN6
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC Name4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine
SMILESCC(C)[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1
InChIInChI=1S/C25H29FN6/c1-16(2)17(3)28-25-27-12-10-21(29-25)24-23(19-6-8-20(26)9-7-19)30-22-14-18(15-31(4)5)11-13-32(22)24/h6-14,16-17H,15H2,1-5H3,(H,27,28,29)/t17-/m0/s1
InChIKeyUKXXRGAXQDYLGE-KRWDZBQOSA-N
XLogP5.12
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methylphenyl)pyrimidin-2-amine
CID 58824460
1-[3-(2-tert-butylpyrimidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824273
N-[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-3,3-dimethylbutanamide
CID 58824430
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-propoxyphenyl)pyrimidin-2-amine
CID 58824630
4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824614
2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
CID 58824357
N-(2,3-dihydro-1H-inden-1-yl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58824309
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N-methylacetamide
CID 58824318
methyl 2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetate
CID 58824540
1-[2-(4-fluorophenyl)-3-imidazo[1,2-a]pyrimidin-7-ylimidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 58824298
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
4-[2-(4-fluorophenyl)-7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 58824370

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine (CID 58824481) is 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine is CC(C)[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1.
What is the InChIKey of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine?
The InChIKey is UKXXRGAXQDYLGE-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H29FN6/c1-16(2)17(3)28-25-27-12-10-21(29-25)24-23(19-6-8-20(26)9-7-19)30-22-14-18(15-31(4)5)11-13-32(22)24/h6-14,16-17H,15H2,1-5H3,(H,27,28,29)/t17-/m0/s1.
What are the key properties of 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine?
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine has a molecular weight of 432.55 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2S)-3-methylbutan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58824481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).