N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

C22H23Cl2FN4O3 — CID 59296114

IUPACN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C22H23Cl2FN4O3/c23-18-3-2-17(9-19(18)24)32-16-5-7-28(8-6-16)12-15(30)10-26-22(31)20-13-29-11-14(25)1-4-21(29)27-20/h1-4,9,11,13,15-16,30H,5-8,10,12H2,(H,26,31)/t15-/m1/s1
InChIKeyPCRWWFINVOSHRN-OAHLLOKOSA-N
MW481.36 g/mol
LogP3.41
Rot. Bonds7

About N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide

N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 59296114) has the molecular formula C22H23Cl2FN4O3 and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID59296114
Molecular FormulaC22H23Cl2FN4O3
Molecular Weight481.36 g/mol
Exact Mass480.11
IUPAC NameN-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1
InChIInChI=1S/C22H23Cl2FN4O3/c23-18-3-2-17(9-19(18)24)32-16-5-7-28(8-6-16)12-15(30)10-26-22(31)20-13-29-11-14(25)1-4-21(29)27-20/h1-4,9,11,13,15-16,30H,5-8,10,12H2,(H,26,31)/t15-/m1/s1
InChIKeyPCRWWFINVOSHRN-OAHLLOKOSA-N
XLogP3.41
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234767
6-chloro-N-(trans-4-hydroxycyclohexyl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763745
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 4782515
6-chloro-2-ethyl-N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141476270
US11780827, Example 25
CID 159321325
US11780827, Example 35
CID 166023615
US11780827, Example 40
CID 166023625
US11780827, Example 30
CID 166023636
US11780827, Example 38
CID 166023640
N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide
CID 155551995
6-chloro-N-[2-[4-(dimethylamino)phenoxy]ethyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155556239

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide (CID 59296114) is N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn2cc(F)ccc2n1.
What is the InChIKey of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PCRWWFINVOSHRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23Cl2FN4O3/c23-18-3-2-17(9-19(18)24)32-16-5-7-28(8-6-16)12-15(30)10-26-22(31)20-13-29-11-14(25)1-4-21(29)27-20/h1-4,9,11,13,15-16,30H,5-8,10,12H2,(H,26,31)/t15-/m1/s1.
What are the key properties of N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide?
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 481.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 59296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).