(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

C16H17N5O4S — CID 131696996

IUPAC(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOc1cnccc1C(=O)N1CC2(C1)CN(S(C)(=O)=O)c1nccnc12
InChIInChI=1S/C16H17N5O4S/c1-25-12-7-17-4-3-11(12)15(22)20-8-16(9-20)10-21(26(2,23)24)14-13(16)18-5-6-19-14/h3-7H,8-10H2,1-2H3
InChIKeyRAKZAWZSMVARLN-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.05
Rot. Bonds3

About (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone

(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (PubChem CID 131696996) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
PubChem CID131696996
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Name(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
SMILESCOc1cnccc1C(=O)N1CC2(C1)CN(S(C)(=O)=O)c1nccnc12
InChIInChI=1S/C16H17N5O4S/c1-25-12-7-17-4-3-11(12)15(22)20-8-16(9-20)10-21(26(2,23)24)14-13(16)18-5-6-19-14/h3-7H,8-10H2,1-2H3
InChIKeyRAKZAWZSMVARLN-UHFFFAOYSA-N
XLogP0.05
TPSA105.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methoxy-1,2-oxazol-5-yl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone
CID 131696669
3-amino-1-(3-methoxypyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323207
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)ethanone
CID 131696682
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
(3-methoxy-4-pyridinyl)-(7-methylspiro[5,8-dihydroimidazo[1,2-a]pyrazine-6,3'-pyrrolidine]-1'-yl)methanone
CID 131697407
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062880

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The IUPAC name of (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone (CID 131696996) is (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone.
What is the SMILES notation for (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The canonical SMILES for (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is COc1cnccc1C(=O)N1CC2(C1)CN(S(C)(=O)=O)c1nccnc12.
What is the InChIKey of (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
The InChIKey is RAKZAWZSMVARLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-25-12-7-17-4-3-11(12)15(22)20-8-16(9-20)10-21(26(2,23)24)14-13(16)18-5-6-19-14/h3-7H,8-10H2,1-2H3.
What are the key properties of (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone?
(3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone has a molecular weight of 375.41 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl)-(5-methylsulfonylspiro[6H-pyrrolo[2,3-b]pyrazine-7,3'-azetidine]-1'-yl)methanone is sourced from PubChem (CID 131696996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).