1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine

C18H23N5 — CID 110098856

IUPAC1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine
SMILESc1cc2c(CC3CCCN(Cc4cnc[nH]4)CC3)nccn2c1
InChIInChI=1S/C18H23N5/c1-3-15(5-9-22(7-1)13-16-12-19-14-21-16)11-17-18-4-2-8-23(18)10-6-20-17/h2,4,6,8,10,12,14-15H,1,3,5,7,9,11,13H2,(H,19,21)
InChIKeyJHPOCFVXQZLPCR-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.90
Rot. Bonds4

About 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine

1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine (PubChem CID 110098856) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine
PubChem CID110098856
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine
SMILESc1cc2c(CC3CCCN(Cc4cnc[nH]4)CC3)nccn2c1
InChIInChI=1S/C18H23N5/c1-3-15(5-9-22(7-1)13-16-12-19-14-21-16)11-17-18-4-2-8-23(18)10-6-20-17/h2,4,6,8,10,12,14-15H,1,3,5,7,9,11,13H2,(H,19,21)
InChIKeyJHPOCFVXQZLPCR-UHFFFAOYSA-N
XLogP2.90
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

4-benzyl-1-(1H-imidazol-5-ylmethyl)piperidine
CID 141030931
1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine
CID 110098861
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
1H-pyrazol-5-yl-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955498
1,5-bis(1H-imidazol-5-ylmethyl)-1,5-diazocane
CID 71447015
4-(fluoromethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 154760047
1H-imidazol-5-yl-[(6S)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124969469
1-(1H-imidazol-5-ylmethyl)piperidine;dihydrochloride
CID 174338495
1-ethyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11164099
(3S)-3-(imidazol-1-ylmethyl)-1-(1H-imidazol-5-ylmethyl)piperidine
CID 99962032
4-[[(3S)-1-(1H-imidazol-5-ylmethyl)pyrrolidin-3-yl]methyl]quinoline
CID 124946132
1-(1H-imidazol-5-ylmethyl)-N-methylpiperidin-4-amine
CID 69118261

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine (CID 110098856) is 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine is c1cc2c(CC3CCCN(Cc4cnc[nH]4)CC3)nccn2c1.
What is the InChIKey of 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine?
The InChIKey is JHPOCFVXQZLPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-15(5-9-22(7-1)13-16-12-19-14-21-16)11-17-18-4-2-8-23(18)10-6-20-17/h2,4,6,8,10,12,14-15H,1,3,5,7,9,11,13H2,(H,19,21).
What are the key properties of 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine?
1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine has a molecular weight of 309.42 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110098856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).