4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine

C26H22F2N6 — CID 142199324

IUPAC4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3cc(CN)ccn3c2-c2ccnc(NCc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C26H22F2N6/c1-16-2-4-18(5-3-16)24-25(34-11-9-17(14-29)12-23(34)33-24)22-8-10-30-26(32-22)31-15-19-6-7-20(27)13-21(19)28/h2-13H,14-15,29H2,1H3,(H,30,31,32)
InChIKeyJECVRBAMXLYKSM-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.12
Rot. Bonds6

About 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine

4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine (PubChem CID 142199324) has the molecular formula C26H22F2N6 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
PubChem CID142199324
Molecular FormulaC26H22F2N6
Molecular Weight456.50 g/mol
Exact Mass456.19
IUPAC Name4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc3cc(CN)ccn3c2-c2ccnc(NCc3ccc(F)cc3F)n2)cc1
InChIInChI=1S/C26H22F2N6/c1-16-2-4-18(5-3-16)24-25(34-11-9-17(14-29)12-23(34)33-24)22-8-10-30-26(32-22)31-15-19-6-7-20(27)13-21(19)28/h2-13H,14-15,29H2,1H3,(H,30,31,32)
InChIKeyJECVRBAMXLYKSM-UHFFFAOYSA-N
XLogP5.12
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142198980
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58824364
[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824541
[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824424
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824295
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339
ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 142198972
ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
CID 142199280
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 142198950
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293

Frequently Asked Questions

What is the IUPAC name of 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine (CID 142199324) is 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine is Cc1ccc(-c2nc3cc(CN)ccn3c2-c2ccnc(NCc3ccc(F)cc3F)n2)cc1.
What is the InChIKey of 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is JECVRBAMXLYKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6/c1-16-2-4-18(5-3-16)24-25(34-11-9-17(14-29)12-23(34)33-24)22-8-10-30-26(32-22)31-15-19-6-7-20(27)13-21(19)28/h2-13H,14-15,29H2,1H3,(H,30,31,32).
What are the key properties of 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine?
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 456.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 142199324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).