(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol

C20H23N5O2 — CID 97445776

IUPAC(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1nc(-c2ccc(C)o2)nc1CCc1cn2ccccc2n1
InChIInChI=1S/C20H23N5O2/c1-3-16(26)13-25-19(22-20(23-25)17-9-7-14(2)27-17)10-8-15-12-24-11-5-4-6-18(24)21-15/h4-7,9,11-12,16,26H,3,8,10,13H2,1-2H3/t16-/m0/s1
InChIKeyOICZOKQYAIHADI-INIZCTEOSA-N
MW365.44 g/mol
LogP3.05
Rot. Bonds7

About (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol

(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol (PubChem CID 97445776) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol
PubChem CID97445776
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol
SMILESCC[C@H](O)Cn1nc(-c2ccc(C)o2)nc1CCc1cn2ccccc2n1
InChIInChI=1S/C20H23N5O2/c1-3-16(26)13-25-19(22-20(23-25)17-9-7-14(2)27-17)10-8-15-12-24-11-5-4-6-18(24)21-15/h4-7,9,11-12,16,26H,3,8,10,13H2,1-2H3/t16-/m0/s1
InChIKeyOICZOKQYAIHADI-INIZCTEOSA-N
XLogP3.05
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol with MolForge

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 54940366
1-[N-(imidazo[1,2-a]pyridin-2-ylmethyl)anilino]butan-2-ol
CID 110931014
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863
(2R)-1-[3-methyl-5-[2-(4-methylphenyl)ethyl]-1,2,4-triazol-1-yl]butan-2-ol
CID 97116467
1-ethyl-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)guanidine
CID 111663691
(1R)-1-[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-1-ol
CID 78933268
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol (CID 97445776) is (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol is CC[C@H](O)Cn1nc(-c2ccc(C)o2)nc1CCc1cn2ccccc2n1.
What is the InChIKey of (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol?
The InChIKey is OICZOKQYAIHADI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-16(26)13-25-19(22-20(23-25)17-9-7-14(2)27-17)10-8-15-12-24-11-5-4-6-18(24)21-15/h4-7,9,11-12,16,26H,3,8,10,13H2,1-2H3/t16-/m0/s1.
What are the key properties of (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol?
(2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol has a molecular weight of 365.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(5-methylfuran-2-yl)-1,2,4-triazol-1-yl]butan-2-ol is sourced from PubChem (CID 97445776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).