N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C20H20FN3O3 — CID 91790406

IUPACN-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)cn12
InChIInChI=1S/C20H20FN3O3/c1-13-4-2-7-19-22-17(11-24(13)19)20(25)23-16-8-9-26-12-18(16)27-15-6-3-5-14(21)10-15/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyCUBNMDCXIBNLAM-SJLPKXTDSA-N
MW369.40 g/mol
LogP2.75
Rot. Bonds4

About N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 91790406) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID91790406
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)cn12
InChIInChI=1S/C20H20FN3O3/c1-13-4-2-7-19-22-17(11-24(13)19)20(25)23-16-8-9-26-12-18(16)27-15-6-3-5-14(21)10-15/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,23,25)/t16-,18-/m1/s1
InChIKeyCUBNMDCXIBNLAM-SJLPKXTDSA-N
XLogP2.75
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 91790406) is N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)N[C@@H]3CCOC[C@H]3Oc3cccc(F)c3)cn12.
What is the InChIKey of N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is CUBNMDCXIBNLAM-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-4-2-7-19-22-17(11-24(13)19)20(25)23-16-8-9-26-12-18(16)27-15-6-3-5-14(21)10-15/h2-7,10-11,16,18H,8-9,12H2,1H3,(H,23,25)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(3-fluorophenoxy)oxan-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 91790406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).