N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

C16H24N4O2 — CID 98817954

IUPACN-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESC[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@H]1CCOC1
InChIInChI=1S/C16H24N4O2/c1-11-15-17-8-14(9-18-16(21)12-2-3-12)20(15)6-5-19(11)13-4-7-22-10-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyWEEQZAMVNOSJQT-AAEUAGOBSA-N
MW304.39 g/mol
LogP1.07
Rot. Bonds4

About N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide

N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 98817954) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID98817954
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
SMILESC[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@H]1CCOC1
InChIInChI=1S/C16H24N4O2/c1-11-15-17-8-14(9-18-16(21)12-2-3-12)20(15)6-5-19(11)13-4-7-22-10-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,21)/t11-,13-/m0/s1
InChIKeyWEEQZAMVNOSJQT-AAEUAGOBSA-N
XLogP1.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(8R)-8-methyl-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 97471346
1-N-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)-4-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 166389980
8-methyl-7-(oxan-4-yl)-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155826288
N-[(2,3-dimethylimidazol-4-yl)methyl]cyclopropanecarboxamide
CID 164659423
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155836793
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrazole-4-carboxamide
CID 131653513
1-methyl-N-[[7-[(3R)-oxolan-3-yl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]pyrrole-2-carboxamide
CID 97467216
1-methyl-N-[[7-(oxolan-3-yl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]imidazole-2-carboxamide
CID 131654713
N-[[4-oxo-9-(oxolan-3-yl)-6,7,8,10-tetrahydropyrimido[1,2-a][1,4]diazepin-2-yl]methyl]cyclopropanecarboxamide
CID 134073729
(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
CID 129355114
N-[(7-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methyl]cyclopropanecarboxamide
CID 97471230
(3S)-N-[(5-methylpyrazin-2-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
CID 97193281

Frequently Asked Questions

What is the IUPAC name of N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide (CID 98817954) is N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1[C@H]1CCOC1.
What is the InChIKey of N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is WEEQZAMVNOSJQT-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-15-17-8-14(9-18-16(21)12-2-3-12)20(15)6-5-19(11)13-4-7-22-10-13/h8,11-13H,2-7,9-10H2,1H3,(H,18,21)/t11-,13-/m0/s1.
What are the key properties of N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide?
N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(8S)-8-methyl-7-[(3S)-oxolan-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 98817954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).