(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane

C20H24N4O — CID 124976489

IUPAC(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
SMILESCc1cncc(CN2CCOC[C@H](Cc3nccn4cccc34)C2)c1
InChIInChI=1S/C20H24N4O/c1-16-9-17(12-21-11-16)13-23-7-8-25-15-18(14-23)10-19-20-3-2-5-24(20)6-4-22-19/h2-6,9,11-12,18H,7-8,10,13-15H2,1H3/t18-/m1/s1
InChIKeyLFSBJDNQYNSQCC-GOSISDBHSA-N
MW336.44 g/mol
LogP2.73
Rot. Bonds4

About (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane

(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane (PubChem CID 124976489) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
PubChem CID124976489
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
SMILESCc1cncc(CN2CCOC[C@H](Cc3nccn4cccc34)C2)c1
InChIInChI=1S/C20H24N4O/c1-16-9-17(12-21-11-16)13-23-7-8-25-15-18(14-23)10-19-20-3-2-5-24(20)6-4-22-19/h2-6,9,11-12,18H,7-8,10,13-15H2,1H3/t18-/m1/s1
InChIKeyLFSBJDNQYNSQCC-GOSISDBHSA-N
XLogP2.73
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane with MolForge

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Related Compounds

(6R)-4-[(3-methylimidazol-4-yl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 125001970
4-[(3-methylimidazol-4-yl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 110111228
(6S)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 125014619
4-(1H-indol-5-ylmethyl)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane
CID 110111248
2-[[6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 110111234
pyridazin-4-yl-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124983858
1H-imidazol-5-yl-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969469
[4-(4-methylphenyl)oxan-4-yl]-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125006077
2,2-diphenyl-1-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 124968328
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125013181
1-[4-methyl-4-[6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane-4-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 110151913
N-[2-methyl-1-oxo-1-[6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-2-yl]-2-phenoxyacetamide
CID 110151433

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane (CID 124976489) is (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane is Cc1cncc(CN2CCOC[C@H](Cc3nccn4cccc34)C2)c1.
What is the InChIKey of (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane?
The InChIKey is LFSBJDNQYNSQCC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-9-17(12-21-11-16)13-23-7-8-25-15-18(14-23)10-19-20-3-2-5-24(20)6-4-22-19/h2-6,9,11-12,18H,7-8,10,13-15H2,1H3/t18-/m1/s1.
What are the key properties of (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane?
(6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane has a molecular weight of 336.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(5-methyl-3-pyridinyl)methyl]-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 124976489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).