4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

C95H107F4N23O8 — CID 160607972

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C
InChIInChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H26FN5O2/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-7-6-18(26)13-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17;1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-6-5-17(25)12-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-19(21(14-30)27-28(15)2)8-10-31-22-5-4-17(24)11-20(22)16-3-6-23-26-12-18(7-9-25)29(23)13-16/h5-8,13-15H,9-12,27H2,1-4H3;4-7,12-14H,8-11,26H2,1-3H3,(H,27,32);3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-6,11-13,30H,7-10,14,25H2,1-2H3
InChIKeyRFDBTTAGJLDBFW-UHFFFAOYSA-N
MW1775.05 g/mol
LogP10.87
Rot. Bonds32

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 160607972) has the molecular formula C95H107F4N23O8 and a molecular weight of 1775.05 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID160607972
Molecular FormulaC95H107F4N23O8
Molecular Weight1775.05 g/mol
Exact Mass1773.86
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C
InChIInChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H26FN5O2/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-7-6-18(26)13-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17;1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-6-5-17(25)12-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-19(21(14-30)27-28(15)2)8-10-31-22-5-4-17(24)11-20(22)16-3-6-23-26-12-18(7-9-25)29(23)13-16/h5-8,13-15H,9-12,27H2,1-4H3;4-7,12-14H,8-11,26H2,1-3H3,(H,27,32);3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-6,11-13,30H,7-10,14,25H2,1-2H3
InChIKeyRFDBTTAGJLDBFW-UHFFFAOYSA-N
XLogP10.87
TPSA394.21 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001775.05
LogP ≤ 510.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 160607972) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)c(C)c1CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is RFDBTTAGJLDBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H26FN5O2/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-7-6-18(26)13-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17;1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-6-5-17(25)12-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-19(21(14-30)27-28(15)2)8-10-31-22-5-4-17(24)11-20(22)16-3-6-23-26-12-18(7-9-25)29(23)13-16/h5-8,13-15H,9-12,27H2,1-4H3;4-7,12-14H,8-11,26H2,1-3H3,(H,27,32);3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-6,11-13,30H,7-10,14,25H2,1-2H3.
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 1775.05 g/mol, XLogP of 10.87, 32 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 160607972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).