1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone

C18H25N5O2 — CID 124971721

IUPAC1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1
InChIInChI=1S/C18H25N5O2/c24-18(13-21-4-1-2-5-21)23-7-8-25-14-15(11-23)9-16-12-22-6-3-19-17(22)10-20-16/h3,6,10,12,15H,1-2,4-5,7-9,11,13-14H2/t15-/m1/s1
InChIKeyJYLBHLZMVJMQRN-OAHLLOKOSA-N
MW343.43 g/mol
LogP0.84
Rot. Bonds4

About 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone

1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 124971721) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
PubChem CID124971721
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1
InChIInChI=1S/C18H25N5O2/c24-18(13-21-4-1-2-5-21)23-7-8-25-14-15(11-23)9-16-12-22-6-3-19-17(22)10-20-16/h3,6,10,12,15H,1-2,4-5,7-9,11,13-14H2/t15-/m1/s1
InChIKeyJYLBHLZMVJMQRN-OAHLLOKOSA-N
XLogP0.84
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-(oxan-4-yl)ethanone
CID 125016766
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyrimidin-5-ylmethanone
CID 110111617
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 125023457
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 110111370
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 125025016
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110111511
[1-(2-fluorophenyl)cyclopentyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124960652
(4-benzyl-1-methylpiperidin-4-yl)-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124967659
6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane
CID 110149687
[3-[(4-fluorophenyl)methoxy]phenyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 129454262
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-[2-(4-methoxyanilino)-3-pyridinyl]methanone
CID 124959642
1-[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 125013888

Frequently Asked Questions

What is the IUPAC name of 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone (CID 124971721) is 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1.
What is the InChIKey of 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is JYLBHLZMVJMQRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(13-21-4-1-2-5-21)23-7-8-25-14-15(11-23)9-16-12-22-6-3-19-17(22)10-20-16/h3,6,10,12,15H,1-2,4-5,7-9,11,13-14H2/t15-/m1/s1.
What are the key properties of 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone?
1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124971721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).