(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine

C18H23N5O — CID 128971761

IUPAC(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc2nccn12
InChIInChI=1S/C18H23N5O/c1-2-22-10-8-20-18(22)17-15(6-4-12-24-17)21-13-14-5-3-7-16-19-9-11-23(14)16/h3,5,7-11,15,17,21H,2,4,6,12-13H2,1H3/t15-,17-/m0/s1
InChIKeyUBIURKWIQGKPCT-RDJZCZTQSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds5

About (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine

(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine (PubChem CID 128971761) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
PubChem CID128971761
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
SMILESCCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc2nccn12
InChIInChI=1S/C18H23N5O/c1-2-22-10-8-20-18(22)17-15(6-4-12-24-17)21-13-14-5-3-7-16-19-9-11-23(14)16/h3,5,7-11,15,17,21H,2,4,6,12-13H2,1H3/t15-,17-/m0/s1
InChIKeyUBIURKWIQGKPCT-RDJZCZTQSA-N
XLogP2.56
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine?
The IUPAC name of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine (CID 128971761) is (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine.
What is the SMILES notation for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine?
The canonical SMILES for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine is CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1cccc2nccn12.
What is the InChIKey of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine?
The InChIKey is UBIURKWIQGKPCT-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-22-10-8-20-18(22)17-15(6-4-12-24-17)21-13-14-5-3-7-16-19-9-11-23(14)16/h3,5,7-11,15,17,21H,2,4,6,12-13H2,1H3/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine?
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine has a molecular weight of 325.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine is sourced from PubChem (CID 128971761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).