5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine

C19H23N7O2 — CID 42101463

IUPAC5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(COC2CCN(c3nc4nonc4nc3N3CCCC3)CC2)nc1
InChIInChI=1S/C19H23N7O2/c1-2-8-20-14(5-1)13-27-15-6-11-26(12-7-15)19-18(25-9-3-4-10-25)21-16-17(22-19)24-28-23-16/h1-2,5,8,15H,3-4,6-7,9-13H2
InChIKeyRCJHLSXOMTWGCK-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.19
Rot. Bonds5

About 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine

5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 42101463) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID42101463
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1ccc(COC2CCN(c3nc4nonc4nc3N3CCCC3)CC2)nc1
InChIInChI=1S/C19H23N7O2/c1-2-8-20-14(5-1)13-27-15-6-11-26(12-7-15)19-18(25-9-3-4-10-25)21-16-17(22-19)24-28-23-16/h1-2,5,8,15H,3-4,6-7,9-13H2
InChIKeyRCJHLSXOMTWGCK-UHFFFAOYSA-N
XLogP2.19
TPSA93.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-morpholin-4-yl-5-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247569
6-(azepan-1-yl)-5-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 45247518
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
[6-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135115714
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 56914538
4-pyridin-2-yl-2-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 97456778
2-phenyl-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387661
5-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 56906695
cyclopropyl-[(2S)-2-[4-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 118776457
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 42101463) is 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine is c1ccc(COC2CCN(c3nc4nonc4nc3N3CCCC3)CC2)nc1.
What is the InChIKey of 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is RCJHLSXOMTWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-2-8-20-14(5-1)13-27-15-6-11-26(12-7-15)19-18(25-9-3-4-10-25)21-16-17(22-19)24-28-23-16/h1-2,5,8,15H,3-4,6-7,9-13H2.
What are the key properties of 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 381.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]-6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 42101463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).