N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

C17H19N5O2 — CID 128989719

IUPACN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-2-21-9-7-18-16(21)15-12(6-10-24-15)20-17(23)13-11-22-8-4-3-5-14(22)19-13/h3-5,7-9,11-12,15H,2,6,10H2,1H3,(H,20,23)/t12-,15-/m0/s1
InChIKeyUWDIFBYUOHETEE-WFASDCNBSA-N
MW325.37 g/mol
LogP1.81
Rot. Bonds4

About N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 128989719) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID128989719
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C17H19N5O2/c1-2-21-9-7-18-16(21)15-12(6-10-24-15)20-17(23)13-11-22-8-4-3-5-14(22)19-13/h3-5,7-9,11-12,15H,2,6,10H2,1H3,(H,20,23)/t12-,15-/m0/s1
InChIKeyUWDIFBYUOHETEE-WFASDCNBSA-N
XLogP1.81
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 128989719) is N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UWDIFBYUOHETEE-WFASDCNBSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-2-21-9-7-18-16(21)15-12(6-10-24-15)20-17(23)13-11-22-8-4-3-5-14(22)19-13/h3-5,7-9,11-12,15H,2,6,10H2,1H3,(H,20,23)/t12-,15-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 128989719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).