(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide

C16H20N4O — CID 126424942

IUPAC(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cnc2cnccn12)[C@H]1CC12CCCCC2
InChIInChI=1S/C16H20N4O/c21-15(13-8-16(13)4-2-1-3-5-16)19-10-12-9-18-14-11-17-6-7-20(12)14/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)/t13-/m1/s1
InChIKeyUCUIBTPQDGUURT-CYBMUJFWSA-N
MW284.36 g/mol
LogP2.32
Rot. Bonds3

About (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide

(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide (PubChem CID 126424942) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide
PubChem CID126424942
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cnc2cnccn12)[C@H]1CC12CCCCC2
InChIInChI=1S/C16H20N4O/c21-15(13-8-16(13)4-2-1-3-5-16)19-10-12-9-18-14-11-17-6-7-20(12)14/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)/t13-/m1/s1
InChIKeyUCUIBTPQDGUURT-CYBMUJFWSA-N
XLogP2.32
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide (CID 126424942) is (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide is O=C(NCc1cnc2cnccn12)[C@H]1CC12CCCCC2.
What is the InChIKey of (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide?
The InChIKey is UCUIBTPQDGUURT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(13-8-16(13)4-2-1-3-5-16)19-10-12-9-18-14-11-17-6-7-20(12)14/h6-7,9,11,13H,1-5,8,10H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide?
(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126424942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).