(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol

C15H21N3O2 — CID 91830201

IUPAC(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cn2ccc(C)cc2n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H21N3O2/c1-3-17(13-9-20-10-14(13)19)7-12-8-18-5-4-11(2)6-15(18)16-12/h4-6,8,13-14,19H,3,7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXSRFVUZEENSSEC-KBPBESRZSA-N
MW275.35 g/mol
LogP1.22
Rot. Bonds4

About (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol

(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol (PubChem CID 91830201) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol
PubChem CID91830201
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1cn2ccc(C)cc2n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C15H21N3O2/c1-3-17(13-9-20-10-14(13)19)7-12-8-18-5-4-11(2)6-15(18)16-12/h4-6,8,13-14,19H,3,7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyXSRFVUZEENSSEC-KBPBESRZSA-N
XLogP1.22
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol (CID 91830201) is (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol is CCN(Cc1cn2ccc(C)cc2n1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol?
The InChIKey is XSRFVUZEENSSEC-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17(13-9-20-10-14(13)19)7-12-8-18-5-4-11(2)6-15(18)16-12/h4-6,8,13-14,19H,3,7,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol?
(3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol has a molecular weight of 275.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ethyl-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 91830201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).