5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol

C54H62F2N14O4 — CID 91235033

IUPAC5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol
SMILESCOc1cc(N2CCN(C(C)(CO)CC(O)C(C)(C)N3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccc(F)cn67)n5)c(OC)c4)CC3)CC2)ccc1Nc1ncc(C)c(-c2cnc3cc(C)ccn23)n1
InChIInChI=1S/C54H62F2N14O4/c1-34-14-15-69-42(30-58-48(69)24-34)49-35(2)28-59-51(63-49)61-40-11-10-38(26-44(40)73-6)66-18-22-68(23-19-66)54(5,33-71)27-46(72)53(3,4)67-20-16-65(17-21-67)37-9-12-41(45(25-37)74-7)62-52-60-29-39(56)50(64-52)43-31-57-47-13-8-36(55)32-70(43)47/h8-15,24-26,28-32,46,71-72H,16-23,27,33H2,1-7H3,(H,59,61,63)(H,60,62,64)
InChIKeyLCIMQONODPUJHB-UHFFFAOYSA-N
MW1009.18 g/mol
LogP7.52
Rot. Bonds16

About 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol

5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol (PubChem CID 91235033) has the molecular formula C54H62F2N14O4 and a molecular weight of 1009.18 g/mol. Its IUPAC name is 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol.

Molecular Properties

Compound Name5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol
PubChem CID91235033
Molecular FormulaC54H62F2N14O4
Molecular Weight1009.18 g/mol
Exact Mass1008.50
IUPAC Name5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol
SMILESCOc1cc(N2CCN(C(C)(CO)CC(O)C(C)(C)N3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccc(F)cn67)n5)c(OC)c4)CC3)CC2)ccc1Nc1ncc(C)c(-c2cnc3cc(C)ccn23)n1
InChIInChI=1S/C54H62F2N14O4/c1-34-14-15-69-42(30-58-48(69)24-34)49-35(2)28-59-51(63-49)61-40-11-10-38(26-44(40)73-6)66-18-22-68(23-19-66)54(5,33-71)27-46(72)53(3,4)67-20-16-65(17-21-67)37-9-12-41(45(25-37)74-7)62-52-60-29-39(56)50(64-52)43-31-57-47-13-8-36(55)32-70(43)47/h8-15,24-26,28-32,46,71-72H,16-23,27,33H2,1-7H3,(H,59,61,63)(H,60,62,64)
InChIKeyLCIMQONODPUJHB-UHFFFAOYSA-N
XLogP7.52
TPSA182.10 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.18
LogP ≤ 57.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol with MolForge

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Launch Full Analysis

Related Compounds

AZ191
CID 72716071
1-[4-[4-[(4-Imidazo[1,2-a]pyridin-3-yl-5-methylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56659844
1-[4-[4-[(5-Fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
CID 56673688
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
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-8-amine
CID 67413813
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415170
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415210
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415502
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67415529
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-phenylimidazo[1,2-a]pyridin-8-amine
CID 67415655
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-8-amine
CID 67416617

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol?
The IUPAC name of 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol (CID 91235033) is 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol.
What is the SMILES notation for 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol?
The canonical SMILES for 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol is COc1cc(N2CCN(C(C)(CO)CC(O)C(C)(C)N3CCN(c4ccc(Nc5ncc(F)c(-c6cnc7ccc(F)cn67)n5)c(OC)c4)CC3)CC2)ccc1Nc1ncc(C)c(-c2cnc3cc(C)ccn23)n1.
What is the InChIKey of 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol?
The InChIKey is LCIMQONODPUJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62F2N14O4/c1-34-14-15-69-42(30-58-48(69)24-34)49-35(2)28-59-51(63-49)61-40-11-10-38(26-44(40)73-6)66-18-22-68(23-19-66)54(5,33-71)27-46(72)53(3,4)67-20-16-65(17-21-67)37-9-12-41(45(25-37)74-7)62-52-60-29-39(56)50(64-52)43-31-57-47-13-8-36(55)32-70(43)47/h8-15,24-26,28-32,46,71-72H,16-23,27,33H2,1-7H3,(H,59,61,63)(H,60,62,64).
What are the key properties of 5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol?
5-[4-[4-[[5-fluoro-4-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol has a molecular weight of 1009.18 g/mol, XLogP of 7.52, 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-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]-2-[4-[3-methoxy-4-[[5-methyl-4-(7-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-2,5-dimethylhexane-1,4-diol is sourced from PubChem (CID 91235033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).