N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

C105H107FN20O12S3 — CID 158109235

IUPACN-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCC(=O)NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(NS(=O)(=O)C4CC4)cc3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3cccc(CN4CCS(=O)(=O)CC4)c3)cccc2n1)C1CC1.[C-]#[N+]C(C)c1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1
InChIInChI=1S/C22H23FN4O3S.C22H24N4O3S.C21H22N4O2.C20H20N4O3S.C20H18N4O/c23-18-12-16(6-7-17(18)13-26-8-10-31(29,30)11-9-26)19-2-1-3-21-24-20(14-27(19)21)25-22(28)15-4-5-15;27-22(17-7-8-17)24-20-15-26-19(5-2-6-21(26)23-20)18-4-1-3-16(13-18)14-25-9-11-30(28,29)12-10-25;1-2-20(26)22-12-14-6-8-15(9-7-14)17-4-3-5-19-23-18(13-25(17)19)24-21(27)16-10-11-16;25-20(14-4-5-14)22-18-12-24-17(2-1-3-19(24)21-18)13-6-8-15(9-7-13)23-28(26,27)16-10-11-16;1-13(21-2)14-6-8-15(9-7-14)17-4-3-5-19-22-18(12-24(17)19)23-20(25)16-10-11-16/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,25,28);1-6,13,15,17H,7-12,14H2,(H,24,27);3-9,13,16H,2,10-12H2,1H3,(H,22,26)(H,24,27);1-3,6-9,12,14,16,23H,4-5,10-11H2,(H,22,25);3-9,12-13,16H,10-11H2,1H3,(H,23,25)
InChIKeyFQFIYSACAAXYMQ-UHFFFAOYSA-N
MW1956.34 g/mol
LogP16.26
Rot. Bonds26

About N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 158109235) has the molecular formula C105H107FN20O12S3 and a molecular weight of 1956.34 g/mol. Its IUPAC name is N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID158109235
Molecular FormulaC105H107FN20O12S3
Molecular Weight1956.34 g/mol
Exact Mass1954.75
IUPAC NameN-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCCC(=O)NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(NS(=O)(=O)C4CC4)cc3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3cccc(CN4CCS(=O)(=O)CC4)c3)cccc2n1)C1CC1.[C-]#[N+]C(C)c1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1
InChIInChI=1S/C22H23FN4O3S.C22H24N4O3S.C21H22N4O2.C20H20N4O3S.C20H18N4O/c23-18-12-16(6-7-17(18)13-26-8-10-31(29,30)11-9-26)19-2-1-3-21-24-20(14-27(19)21)25-22(28)15-4-5-15;27-22(17-7-8-17)24-20-15-26-19(5-2-6-21(26)23-20)18-4-1-3-16(13-18)14-25-9-11-30(28,29)12-10-25;1-2-20(26)22-12-14-6-8-15(9-7-14)17-4-3-5-19-23-18(13-25(17)19)24-21(27)16-10-11-16;25-20(14-4-5-14)22-18-12-24-17(2-1-3-19(24)21-18)13-6-8-15(9-7-13)23-28(26,27)16-10-11-16;1-13(21-2)14-6-8-15(9-7-14)17-4-3-5-19-22-18(12-24(17)19)23-20(25)16-10-11-16/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,25,28);1-6,13,15,17H,7-12,14H2,(H,24,27);3-9,13,16H,2,10-12H2,1H3,(H,22,26)(H,24,27);1-3,6-9,12,14,16,23H,4-5,10-11H2,(H,22,25);3-9,12-13,16H,10-11H2,1H3,(H,23,25)
InChIKeyFQFIYSACAAXYMQ-UHFFFAOYSA-N
XLogP16.26
TPSA386.39 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms141
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001956.34
LogP ≤ 516.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide (CID 158109235) is N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is CCC(=O)NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1.O=C(Nc1cn2c(-c3ccc(CN4CCS(=O)(=O)CC4)c(F)c3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3ccc(NS(=O)(=O)C4CC4)cc3)cccc2n1)C1CC1.O=C(Nc1cn2c(-c3cccc(CN4CCS(=O)(=O)CC4)c3)cccc2n1)C1CC1.[C-]#[N+]C(C)c1ccc(-c2cccc3nc(NC(=O)C4CC4)cn23)cc1.
What is the InChIKey of N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FQFIYSACAAXYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S.C22H24N4O3S.C21H22N4O2.C20H20N4O3S.C20H18N4O/c23-18-12-16(6-7-17(18)13-26-8-10-31(29,30)11-9-26)19-2-1-3-21-24-20(14-27(19)21)25-22(28)15-4-5-15;27-22(17-7-8-17)24-20-15-26-19(5-2-6-21(26)23-20)18-4-1-3-16(13-18)14-25-9-11-30(28,29)12-10-25;1-2-20(26)22-12-14-6-8-15(9-7-14)17-4-3-5-19-23-18(13-25(17)19)24-21(27)16-10-11-16;25-20(14-4-5-14)22-18-12-24-17(2-1-3-19(24)21-18)13-6-8-15(9-7-13)23-28(26,27)16-10-11-16;1-13(21-2)14-6-8-15(9-7-14)17-4-3-5-19-22-18(12-24(17)19)23-20(25)16-10-11-16/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,25,28);1-6,13,15,17H,7-12,14H2,(H,24,27);3-9,13,16H,2,10-12H2,1H3,(H,22,26)(H,24,27);1-3,6-9,12,14,16,23H,4-5,10-11H2,(H,22,25);3-9,12-13,16H,10-11H2,1H3,(H,23,25).
What are the key properties of N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1956.34 g/mol, XLogP of 16.26, 26 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropylsulfonylamino)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-(1-isocyanoethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[4-[(propanoylamino)methyl]phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 158109235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).