2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C99H97Cl5N16O14 — CID 158085223

IUPAC2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(O)CNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NC1CCC(O)CC1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCCCO)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCc1cccnc1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1)N1CCC(CO)CC1
InChIInChI=1S/C21H17ClN4O2.2C21H22ClN3O3.2C18H18ClN3O3/c22-17-6-3-15(4-7-17)20-18(13-27)26-12-16(5-8-19(26)25-20)21(28)24-11-14-2-1-9-23-10-14;22-15-4-1-13(2-5-15)20-18(12-26)25-11-14(3-10-19(25)24-20)21(28)23-16-6-8-17(27)9-7-16;22-17-4-1-15(2-5-17)20-18(13-27)25-11-16(3-6-19(25)23-20)21(28)24-9-7-14(12-26)8-10-24;1-11(24)8-20-18(25)13-4-7-16-21-17(15(10-23)22(16)9-13)12-2-5-14(19)6-3-12;19-14-5-2-12(3-6-14)17-15(11-24)22-10-13(4-7-16(22)21-17)18(25)20-8-1-9-23/h1-10,12,27H,11,13H2,(H,24,28);1-5,10-11,16-17,26-27H,6-9,12H2,(H,23,28);1-6,11,14,26-27H,7-10,12-13H2;2-7,9,11,23-24H,8,10H2,1H3,(H,20,25);2-7,10,23-24H,1,8-9,11H2,(H,20,25)
InChIKeyFNKWKRTXZUSDCX-UHFFFAOYSA-N
MW1912.23 g/mol
LogP14.16
Rot. Bonds24

About 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 158085223) has the molecular formula C99H97Cl5N16O14 and a molecular weight of 1912.23 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID158085223
Molecular FormulaC99H97Cl5N16O14
Molecular Weight1912.23 g/mol
Exact Mass1908.58
IUPAC Name2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(O)CNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NC1CCC(O)CC1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCCCO)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCc1cccnc1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1)N1CCC(CO)CC1
InChIInChI=1S/C21H17ClN4O2.2C21H22ClN3O3.2C18H18ClN3O3/c22-17-6-3-15(4-7-17)20-18(13-27)26-12-16(5-8-19(26)25-20)21(28)24-11-14-2-1-9-23-10-14;22-15-4-1-13(2-5-15)20-18(12-26)25-11-14(3-10-19(25)24-20)21(28)23-16-6-8-17(27)9-7-16;22-17-4-1-15(2-5-17)20-18(13-27)25-11-16(3-6-19(25)23-20)21(28)24-9-7-14(12-26)8-10-24;1-11(24)8-20-18(25)13-4-7-16-21-17(15(10-23)22(16)9-13)12-2-5-14(19)6-3-12;19-14-5-2-12(3-6-14)17-15(11-24)22-10-13(4-7-16(22)21-17)18(25)20-8-1-9-23/h1-10,12,27H,11,13H2,(H,24,28);1-5,10-11,16-17,26-27H,6-9,12H2,(H,23,28);1-6,11,14,26-27H,7-10,12-13H2;2-7,9,11,23-24H,8,10H2,1H3,(H,20,25);2-7,10,23-24H,1,8-9,11H2,(H,20,25)
InChIKeyFNKWKRTXZUSDCX-UHFFFAOYSA-N
XLogP14.16
TPSA418.17 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001912.23
LogP ≤ 514.16
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 158085223) is 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is CC(O)CNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NC1CCC(O)CC1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCCCO)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(NCc1cccnc1)c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1.O=C(c1ccc2nc(-c3ccc(Cl)cc3)c(CO)n2c1)N1CCC(CO)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FNKWKRTXZUSDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2.2C21H22ClN3O3.2C18H18ClN3O3/c22-17-6-3-15(4-7-17)20-18(13-27)26-12-16(5-8-19(26)25-20)21(28)24-11-14-2-1-9-23-10-14;22-15-4-1-13(2-5-15)20-18(12-26)25-11-14(3-10-19(25)24-20)21(28)23-16-6-8-17(27)9-7-16;22-17-4-1-15(2-5-17)20-18(13-27)25-11-16(3-6-19(25)23-20)21(28)24-9-7-14(12-26)8-10-24;1-11(24)8-20-18(25)13-4-7-16-21-17(15(10-23)22(16)9-13)12-2-5-14(19)6-3-12;19-14-5-2-12(3-6-14)17-15(11-24)22-10-13(4-7-16(22)21-17)18(25)20-8-1-9-23/h1-10,12,27H,11,13H2,(H,24,28);1-5,10-11,16-17,26-27H,6-9,12H2,(H,23,28);1-6,11,14,26-27H,7-10,12-13H2;2-7,9,11,23-24H,8,10H2,1H3,(H,20,25);2-7,10,23-24H,1,8-9,11H2,(H,20,25).
What are the key properties of 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 1912.23 g/mol, XLogP of 14.16, 24 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(2-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(3-hydroxypropyl)imidazo[1,2-a]pyridine-6-carboxamide;[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone;2-(4-chlorophenyl)-3-(hydroxymethyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 158085223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).