1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine

C49H39Cl2F6N9O4 — CID 145184563

IUPAC1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2nc(OCCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)c(-c3nc4nc(OCc5ccc(Oc6ccc(Cl)c(C(F)(F)F)c6)cc5)ccn4c3Cc3cnn(C)c3)cn12
InChIInChI=1S/C49H39Cl2F6N9O4/c1-63(2)26-32-24-58-46-62-45(67-19-17-29-4-8-33(9-5-29)69-35-12-14-40(50)38(21-35)48(52,53)54)37(27-66(32)46)44-42(20-31-23-59-64(3)25-31)65-18-16-43(60-47(65)61-44)68-28-30-6-10-34(11-7-30)70-36-13-15-41(51)39(22-36)49(55,56)57/h4-16,18,21-25,27H,17,19-20,26,28H2,1-3H3
InChIKeyZABRCOHWRDXOFL-UHFFFAOYSA-N
MW1002.80 g/mol
LogP11.95
Rot. Bonds16

About 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine

1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 145184563) has the molecular formula C49H39Cl2F6N9O4 and a molecular weight of 1002.80 g/mol. Its IUPAC name is 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine
PubChem CID145184563
Molecular FormulaC49H39Cl2F6N9O4
Molecular Weight1002.80 g/mol
Exact Mass1001.24
IUPAC Name1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cnc2nc(OCCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)c(-c3nc4nc(OCc5ccc(Oc6ccc(Cl)c(C(F)(F)F)c6)cc5)ccn4c3Cc3cnn(C)c3)cn12
InChIInChI=1S/C49H39Cl2F6N9O4/c1-63(2)26-32-24-58-46-62-45(67-19-17-29-4-8-33(9-5-29)69-35-12-14-40(50)38(21-35)48(52,53)54)37(27-66(32)46)44-42(20-31-23-59-64(3)25-31)65-18-16-43(60-47(65)61-44)68-28-30-6-10-34(11-7-30)70-36-13-15-41(51)39(22-36)49(55,56)57/h4-16,18,21-25,27H,17,19-20,26,28H2,1-3H3
InChIKeyZABRCOHWRDXOFL-UHFFFAOYSA-N
XLogP11.95
TPSA118.36 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001002.80
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

7-[2-[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196130
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196132
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-3-ylimidazo[1,2-a]pyrimidine
CID 122196137
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyridin-4-ylimidazo[1,2-a]pyrimidine
CID 122196138
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(2-methoxypyrimidin-5-yl)imidazo[1,2-a]pyrimidine
CID 122196204
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
CID 122196205
3-(5-Pyrimidinyl)-7-[3-fluoro-4-[3-(trifluoromethyl)-4-chlorophenoxy]benzyloxy]imidazo[1,2-a]pyrimidine
CID 122196208
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196212
7-[3-[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]propoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196133
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 122196136
7-[[4-[4-Chloro-3-(trifluoromethyl)phenoxy]-3-methylphenyl]methoxy]-3-pyrimidin-5-ylimidazo[1,2-a]pyrimidine
CID 122196207
Lp-PLA2-IN-17
CID 122196210

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine (CID 145184563) is 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1cnc2nc(OCCc3ccc(Oc4ccc(Cl)c(C(F)(F)F)c4)cc3)c(-c3nc4nc(OCc5ccc(Oc6ccc(Cl)c(C(F)(F)F)c6)cc5)ccn4c3Cc3cnn(C)c3)cn12.
What is the InChIKey of 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is ZABRCOHWRDXOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39Cl2F6N9O4/c1-63(2)26-32-24-58-46-62-45(67-19-17-29-4-8-33(9-5-29)69-35-12-14-40(50)38(21-35)48(52,53)54)37(27-66(32)46)44-42(20-31-23-59-64(3)25-31)65-18-16-43(60-47(65)61-44)68-28-30-6-10-34(11-7-30)70-36-13-15-41(51)39(22-36)49(55,56)57/h4-16,18,21-25,27H,17,19-20,26,28H2,1-3H3.
What are the key properties of 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine?
1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 1002.80 g/mol, XLogP of 11.95, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethoxy]-6-[7-[[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrimidin-2-yl]imidazo[1,2-a]pyrimidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 145184563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).