1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine

C18H23N5O — CID 128992159

IUPAC1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc2nccn12
InChIInChI=1S/C18H23N5O/c1-2-23-16(6-8-21-23)18-14(7-11-24-18)12-19-13-15-4-3-5-17-20-9-10-22(15)17/h3-6,8-10,14,18-19H,2,7,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyBGDSHTOOZNOKEZ-KBXCAEBGSA-N
MW325.42 g/mol
LogP2.42
Rot. Bonds6

About 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine

1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine (PubChem CID 128992159) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
PubChem CID128992159
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc2nccn12
InChIInChI=1S/C18H23N5O/c1-2-23-16(6-8-21-23)18-14(7-11-24-18)12-19-13-15-4-3-5-17-20-9-10-22(15)17/h3-6,8-10,14,18-19H,2,7,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyBGDSHTOOZNOKEZ-KBXCAEBGSA-N
XLogP2.42
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine?
The IUPAC name of 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine (CID 128992159) is 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine is CCn1nccc1[C@@H]1OCC[C@H]1CNCc1cccc2nccn12.
What is the InChIKey of 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine?
The InChIKey is BGDSHTOOZNOKEZ-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-23-16(6-8-21-23)18-14(7-11-24-18)12-19-13-15-4-3-5-17-20-9-10-22(15)17/h3-6,8-10,14,18-19H,2,7,11-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine?
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine has a molecular weight of 325.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-(imidazo[1,2-a]pyridin-5-ylmethyl)methanamine is sourced from PubChem (CID 128992159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).