[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C28H22FN7O — CID 58824590

IUPAC[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cccc(-c5cnc[nH]5)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H22FN7O/c29-22-6-4-20(5-7-22)26-27(36-11-9-19(16-37)13-25(36)35-26)23-8-10-31-28(34-23)32-14-18-2-1-3-21(12-18)24-15-30-17-33-24/h1-13,15,17,37H,14,16H2,(H,30,33)(H,31,32,34)
InChIKeyJYXKPAFGWNQJDZ-UHFFFAOYSA-N
MW491.53 g/mol
LogP5.09
Rot. Bonds7

About [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 58824590) has the molecular formula C28H22FN7O and a molecular weight of 491.53 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID58824590
Molecular FormulaC28H22FN7O
Molecular Weight491.53 g/mol
Exact Mass491.19
IUPAC Name[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(-c3ccnc(NCc4cccc(-c5cnc[nH]5)c4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C28H22FN7O/c29-22-6-4-20(5-7-22)26-27(36-11-9-19(16-37)13-25(36)35-26)23-8-10-31-28(34-23)32-14-18-2-1-3-21(12-18)24-15-30-17-33-24/h1-13,15,17,37H,14,16H2,(H,30,33)(H,31,32,34)
InChIKeyJYXKPAFGWNQJDZ-UHFFFAOYSA-N
XLogP5.09
TPSA104.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.53
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824541
[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
[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-(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
[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824537
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293
[2-(4-fluorophenyl)-3-(2-morpholin-4-ylpyrimidin-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824388
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
CID 142199324
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58824364

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 58824590) is [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is OCc1ccn2c(-c3ccnc(NCc4cccc(-c5cnc[nH]5)c4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is JYXKPAFGWNQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN7O/c29-22-6-4-20(5-7-22)26-27(36-11-9-19(16-37)13-25(36)35-26)23-8-10-31-28(34-23)32-14-18-2-1-3-21(12-18)24-15-30-17-33-24/h1-13,15,17,37H,14,16H2,(H,30,33)(H,31,32,34).
What are the key properties of [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 491.53 g/mol, XLogP of 5.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58824590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).