1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine

C19H22N4O2S — CID 110098861

IUPAC1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1)N1CCCC(Cc2nccn3cccc23)CC1
InChIInChI=1S/C19H22N4O2S/c24-26(25,17-5-1-8-20-15-17)23-11-2-4-16(7-12-23)14-18-19-6-3-10-22(19)13-9-21-18/h1,3,5-6,8-10,13,15-16H,2,4,7,11-12,14H2
InChIKeyMOAUXSLACYTKCS-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.76
Rot. Bonds4

About 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine

1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine (PubChem CID 110098861) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine
PubChem CID110098861
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1)N1CCCC(Cc2nccn3cccc23)CC1
InChIInChI=1S/C19H22N4O2S/c24-26(25,17-5-1-8-20-15-17)23-11-2-4-16(7-12-23)14-18-19-6-3-10-22(19)13-9-21-18/h1,3,5-6,8-10,13,15-16H,2,4,7,11-12,14H2
InChIKeyMOAUXSLACYTKCS-UHFFFAOYSA-N
XLogP2.76
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
1-[[1-(1H-imidazol-5-ylmethyl)azepan-4-yl]methyl]pyrrolo[1,2-a]pyrazine
CID 110098856
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
3-[4-(imidazol-1-ylmethyl)piperidin-1-yl]sulfonylpyridine
CID 90493888
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-pyridin-3-ylsulfonylpiperidin-3-amine;dihydrochloride
CID 165437566
1H-pyrazol-5-yl-[(4S)-4-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)azepan-1-yl]methanone
CID 124955498
3-[(1-pyridin-3-ylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 166622070
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976

Frequently Asked Questions

What is the IUPAC name of 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine (CID 110098861) is 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine is O=S(=O)(c1cccnc1)N1CCCC(Cc2nccn3cccc23)CC1.
What is the InChIKey of 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine?
The InChIKey is MOAUXSLACYTKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-26(25,17-5-1-8-20-15-17)23-11-2-4-16(7-12-23)14-18-19-6-3-10-22(19)13-9-21-18/h1,3,5-6,8-10,13,15-16H,2,4,7,11-12,14H2.
What are the key properties of 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine?
1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine has a molecular weight of 370.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-pyridin-3-ylsulfonylazepan-4-yl)methyl]pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110098861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).