5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol

C51H57FN14O4 — CID 91542671

IUPAC5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol
SMILESCOc1cc(N2CCN(C(CO)CC(O)CN3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccccn67)n5)c(OC)c4)CC3C)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C51H57FN14O4/c1-33-26-55-50(59-48(33)42-28-53-46-9-5-7-15-65(42)46)57-40-13-11-35(24-44(40)69-3)61-17-19-62(20-18-61)37(32-67)23-38(68)31-63-21-22-64(30-34(63)2)36-12-14-41(45(25-36)70-4)58-51-56-27-39(52)49(60-51)43-29-54-47-10-6-8-16-66(43)47/h5-16,24-29,34,37-38,67-68H,17-23,30-32H2,1-4H3,(H,55,57,59)(H,56,58,60)
InChIKeyIBNCLYAWCQWQFX-UHFFFAOYSA-N
MW949.11 g/mol
LogP6.29
Rot. Bonds16

About 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol

5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol (PubChem CID 91542671) has the molecular formula C51H57FN14O4 and a molecular weight of 949.11 g/mol. Its IUPAC name is 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol.

Molecular Properties

Compound Name5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol
PubChem CID91542671
Molecular FormulaC51H57FN14O4
Molecular Weight949.11 g/mol
Exact Mass948.47
IUPAC Name5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol
SMILESCOc1cc(N2CCN(C(CO)CC(O)CN3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccccn67)n5)c(OC)c4)CC3C)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C51H57FN14O4/c1-33-26-55-50(59-48(33)42-28-53-46-9-5-7-15-65(42)46)57-40-13-11-35(24-44(40)69-3)61-17-19-62(20-18-61)37(32-67)23-38(68)31-63-21-22-64(30-34(63)2)36-12-14-41(45(25-36)70-4)58-51-56-27-39(52)49(60-51)43-29-54-47-10-6-8-16-66(43)47/h5-16,24-29,34,37-38,67-68H,17-23,30-32H2,1-4H3,(H,55,57,59)(H,56,58,60)
InChIKeyIBNCLYAWCQWQFX-UHFFFAOYSA-N
XLogP6.29
TPSA182.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.11
LogP ≤ 56.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol with MolForge

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Related Compounds

AZ191
CID 72716071
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(pyrrolidin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571815
(R)-N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl)-2-methoxyphenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571816
N-(2,6-difluorophenyl)-3-(3-(2-(4-(4-((2R,6S)-2,6-dimethylmorpholino)piperidin-1-yl)-2-methoxyphenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571818
2-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanol
CID 45380694
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
2-[4-(4-Acetylpiperazin-1-yl)-2-methoxyanilino]-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carbonitrile
CID 56666509
1-[4-[4-[[5-Chloro-4-[8-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56666742
1-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673688
2-[7-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanol
CID 56677275
1-[4-[4-[[4-Imidazo[1,2-a]pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56683651
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 58065745

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol?
The IUPAC name of 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol (CID 91542671) is 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol.
What is the SMILES notation for 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol?
The canonical SMILES for 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol is COc1cc(N2CCN(C(CO)CC(O)CN3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccccn67)n5)c(OC)c4)CC3C)CC2)ccc1Nc1ncc(C)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol?
The InChIKey is IBNCLYAWCQWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57FN14O4/c1-33-26-55-50(59-48(33)42-28-53-46-9-5-7-15-65(42)46)57-40-13-11-35(24-44(40)69-3)61-17-19-62(20-18-61)37(32-67)23-38(68)31-63-21-22-64(30-34(63)2)36-12-14-41(45(25-36)70-4)58-51-56-27-39(52)49(60-51)43-29-54-47-10-6-8-16-66(43)47/h5-16,24-29,34,37-38,67-68H,17-23,30-32H2,1-4H3,(H,55,57,59)(H,56,58,60).
What are the key properties of 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol?
5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol has a molecular weight of 949.11 g/mol, XLogP of 6.29, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]-2-methylpiperazin-1-yl]-2-[4-[4-[(4-imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]pentane-1,4-diol is sourced from PubChem (CID 91542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).