morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone

C18H26N4O2S — CID 85481208

IUPACmorpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2NNC(CSc3ccccc3)C2C1
InChIInChI=1S/C18H26N4O2S/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(12-22)17(20-19-16)13-25-14-4-2-1-3-5-14/h1-5,15-17,19-20H,6-13H2
InChIKeyDABGCBLXBUQWKH-UHFFFAOYSA-N
MW362.50 g/mol
LogP1.40
Rot. Bonds3

About morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone

morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 85481208) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID85481208
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Namemorpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2NNC(CSc3ccccc3)C2C1
InChIInChI=1S/C18H26N4O2S/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(12-22)17(20-19-16)13-25-14-4-2-1-3-5-14/h1-5,15-17,19-20H,6-13H2
InChIKeyDABGCBLXBUQWKH-UHFFFAOYSA-N
XLogP1.40
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]but-2-en-1-one
CID 85481773
N-[3-methyl-1-oxo-1-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]butan-2-yl]acetamide
CID 74574739
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
1-[3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenylsulfanylethanone
CID 74559067
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
(2-methylpyrazol-3-yl)-[3-(2-phenylethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 85480519
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
1-(3-benzhydryl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-2-methoxyethanone
CID 74503085
1-[2-oxo-2-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethyl]pyridin-2-one
CID 71993940
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
[3-(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 3231993

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone (CID 85481208) is morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is O=C(N1CCOCC1)N1CCC2NNC(CSc3ccccc3)C2C1.
What is the InChIKey of morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is DABGCBLXBUQWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(12-22)17(20-19-16)13-25-14-4-2-1-3-5-14/h1-5,15-17,19-20H,6-13H2.
What are the key properties of morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone?
morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 362.50 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-(phenylsulfanylmethyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 85481208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).