(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

C17H23N5O2 — CID 126443165

IUPAC(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCc2cnc3cnccn23)CCC1=O
InChIInChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(3-4-16(21)23)17(24)20-8-14-7-19-15-9-18-5-6-22(14)15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYXKUROHQYVUGQT-ZDUSSCGKSA-N
MW329.40 g/mol
LogP1.24
Rot. Bonds5

About (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide

(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 126443165) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID126443165
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCC(C)CN1C[C@@H](C(=O)NCc2cnc3cnccn23)CCC1=O
InChIInChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(3-4-16(21)23)17(24)20-8-14-7-19-15-9-18-5-6-22(14)15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYXKUROHQYVUGQT-ZDUSSCGKSA-N
XLogP1.24
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Azepan-1-YL)-3-({2-methylimidazo[1,2-A]pyrazin-3-YL}amino)propan-1-one
CID 53039688
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
2-cyclopropyl-N-[[7-(5-methylpyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97390334
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide
CID 97467417
N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743379
1-allyl-5-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)piperidin-2-one
CID 56910298
2-(1-Acetylpiperidin-4-YL)-N-[2-(5-methyl-1-propyl-1H-imidazol-2-YL)ethyl]acetamide
CID 91911723
(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one
CID 95719381
(3S)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-(2-methylpropyl)piperazin-2-one
CID 99829144
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-4,4-dimethylpentanamide
CID 119067898
(2S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)spiro[2.5]octane-2-carboxamide
CID 126424942

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide (CID 126443165) is (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is CC(C)CN1C[C@@H](C(=O)NCc2cnc3cnccn23)CCC1=O.
What is the InChIKey of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YXKUROHQYVUGQT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)10-21-11-13(3-4-16(21)23)17(24)20-8-14-7-19-15-9-18-5-6-22(14)15/h5-7,9,12-13H,3-4,8,10-11H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide?
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-(2-methylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 126443165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).