1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

C19H25N5O — CID 96510905

IUPAC1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2cnc3c(C)cccn23)cn1
InChIInChI=1S/C19H25N5O/c1-3-23-13-16(10-22-23)18-15(6-8-25-18)9-20-11-17-12-21-19-14(2)5-4-7-24(17)19/h4-5,7,10,12-13,15,18,20H,3,6,8-9,11H2,1-2H3/t15-,18+/m1/s1
InChIKeyHXZFYAKQFIBMPZ-QAPCUYQASA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (PubChem CID 96510905) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
PubChem CID96510905
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@@H]2CNCc2cnc3c(C)cccn23)cn1
InChIInChI=1S/C19H25N5O/c1-3-23-13-16(10-22-23)18-15(6-8-25-18)9-20-11-17-12-21-19-14(2)5-4-7-24(17)19/h4-5,7,10,12-13,15,18,20H,3,6,8-9,11H2,1-2H3/t15-,18+/m1/s1
InChIKeyHXZFYAKQFIBMPZ-QAPCUYQASA-N
XLogP2.73
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97007866
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510824
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510842

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (CID 96510905) is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is CCn1cc([C@H]2OCC[C@@H]2CNCc2cnc3c(C)cccn23)cn1.
What is the InChIKey of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The InChIKey is HXZFYAKQFIBMPZ-QAPCUYQASA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-23-13-16(10-22-23)18-15(6-8-25-18)9-20-11-17-12-21-19-14(2)5-4-7-24(17)19/h4-5,7,10,12-13,15,18,20H,3,6,8-9,11H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine has a molecular weight of 339.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is sourced from PubChem (CID 96510905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).