2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid

C58H63F6N9O10 — CID 157212211

IUPAC2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCN(CC)CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cc(OC)c(C(=O)CCC(F)(F)F)c(OC)c4)cnc3c2)cn1.COc1cc(-c2cnc3cc(-c4cnn(C(C)(C)C(=O)O)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F
InChIInChI=1S/C32H38F3N5O5.C26H25F3N4O5/c1-7-38(8-2)13-14-45-30(42)31(3,4)40-20-23(18-37-40)21-10-12-39-24(19-36-28(39)17-21)22-15-26(43-5)29(27(16-22)44-6)25(41)9-11-32(33,34)35;1-25(2,24(35)36)33-14-17(12-31-33)15-6-8-32-18(13-30-22(32)11-15)16-9-20(37-3)23(21(10-16)38-4)19(34)5-7-26(27,28)29/h10,12,15-20H,7-9,11,13-14H2,1-6H3;6,8-14H,5,7H2,1-4H3,(H,35,36)
InChIKeyASABITJBODQXTG-UHFFFAOYSA-N
MW1160.18 g/mol
LogP11.25
Rot. Bonds23

About 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid

2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 157212211) has the molecular formula C58H63F6N9O10 and a molecular weight of 1160.18 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID157212211
Molecular FormulaC58H63F6N9O10
Molecular Weight1160.18 g/mol
Exact Mass1159.46
IUPAC Name2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCCN(CC)CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cc(OC)c(C(=O)CCC(F)(F)F)c(OC)c4)cnc3c2)cn1.COc1cc(-c2cnc3cc(-c4cnn(C(C)(C)C(=O)O)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F
InChIInChI=1S/C32H38F3N5O5.C26H25F3N4O5/c1-7-38(8-2)13-14-45-30(42)31(3,4)40-20-23(18-37-40)21-10-12-39-24(19-36-28(39)17-21)22-15-26(43-5)29(27(16-22)44-6)25(41)9-11-32(33,34)35;1-25(2,24(35)36)33-14-17(12-31-33)15-6-8-32-18(13-30-22(32)11-15)16-9-20(37-3)23(21(10-16)38-4)19(34)5-7-26(27,28)29/h10,12,15-20H,7-9,11,13-14H2,1-6H3;6,8-14H,5,7H2,1-4H3,(H,35,36)
InChIKeyASABITJBODQXTG-UHFFFAOYSA-N
XLogP11.25
TPSA208.14 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001160.18
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

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Related Compounds

2-(2,6-Dimethoxy-4-(7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)phenyl)-5-ethyl-1,3,4-oxadiazole
CID 164039567
Bis(butanedioic acid);4-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-[(3-fluorophenyl)methoxy]benzamide
CID 137639660
2-(Benzyloxy)-4-(7-(1-(2-(dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)benzamide disuccinate
CID 137645850
US20240025892, Example 60
CID 163513116
US20240025892, Example 55
CID 163840793
Ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate
CID 147044284
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2-(difluoromethoxy)-N-ethyl-6-methoxy-4-[7-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
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2-(difluoromethoxy)-4-[7-[1-(difluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-ethyl-6-methoxybenzamide
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(3,3-Difluoroazetidin-1-yl)-[2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid (CID 157212211) is 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid is CCN(CC)CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cc(OC)c(C(=O)CCC(F)(F)F)c(OC)c4)cnc3c2)cn1.COc1cc(-c2cnc3cc(-c4cnn(C(C)(C)C(=O)O)c4)ccn23)cc(OC)c1C(=O)CCC(F)(F)F.
What is the InChIKey of 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is ASABITJBODQXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N5O5.C26H25F3N4O5/c1-7-38(8-2)13-14-45-30(42)31(3,4)40-20-23(18-37-40)21-10-12-39-24(19-36-28(39)17-21)22-15-26(43-5)29(27(16-22)44-6)25(41)9-11-32(33,34)35;1-25(2,24(35)36)33-14-17(12-31-33)15-6-8-32-18(13-30-22(32)11-15)16-9-20(37-3)23(21(10-16)38-4)19(34)5-7-26(27,28)29/h10,12,15-20H,7-9,11,13-14H2,1-6H3;6,8-14H,5,7H2,1-4H3,(H,35,36).
What are the key properties of 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid?
2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 1160.18 g/mol, XLogP of 11.25, 23 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate;2-[4-[3-[3,5-dimethoxy-4-(4,4,4-trifluorobutanoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 157212211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).