(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C17H22N6O — CID 96512363

IUPAC(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c([C@H]2CN(Cc3cn4ccccc4n3)CCO2)n1
InChIInChI=1S/C17H22N6O/c1-12(2)16-19-17(21-20-16)14-11-22(7-8-24-14)9-13-10-23-6-4-3-5-15(23)18-13/h3-6,10,12,14H,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyLSVDOWHYCBHFLI-CQSZACIVSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds4

About (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 96512363) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID96512363
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c([C@H]2CN(Cc3cn4ccccc4n3)CCO2)n1
InChIInChI=1S/C17H22N6O/c1-12(2)16-19-17(21-20-16)14-11-22(7-8-24-14)9-13-10-23-6-4-3-5-15(23)18-13/h3-6,10,12,14H,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1
InChIKeyLSVDOWHYCBHFLI-CQSZACIVSA-N
XLogP2.15
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholin-2-yl]ethanamine
CID 115314933
4-[(1-methylindol-3-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 166305341
4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71928079
(2R)-4-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 96512374
(2S)-4-[2-[(S)-phenylsulfinyl]ethyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 98775051
1,3-dimethyl-6-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methyl]pyrimidine-2,4-dione
CID 96512438
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
CID 71872308
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 96510622
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 96512363) is (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c([C@H]2CN(Cc3cn4ccccc4n3)CCO2)n1.
What is the InChIKey of (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is LSVDOWHYCBHFLI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O/c1-12(2)16-19-17(21-20-16)14-11-22(7-8-24-14)9-13-10-23-6-4-3-5-15(23)18-13/h3-6,10,12,14H,7-9,11H2,1-2H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
(2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 326.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 96512363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).