morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

C16H20N4O2S — CID 97408296

IUPACmorpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CCN(Cc1ccsc1)C2)N1CCOCC1
InChIInChI=1S/C16H20N4O2S/c21-16(20-4-6-22-7-5-20)15-13-1-3-19(10-14(13)17-18-15)9-12-2-8-23-11-12/h2,8,11H,1,3-7,9-10H2,(H,17,18)
InChIKeyRNCLWAONUQATGQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.50
Rot. Bonds3

About morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (PubChem CID 97408296) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
PubChem CID97408296
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Namemorpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESO=C(c1n[nH]c2c1CCN(Cc1ccsc1)C2)N1CCOCC1
InChIInChI=1S/C16H20N4O2S/c21-16(20-4-6-22-7-5-20)15-13-1-3-19(10-14(13)17-18-15)9-12-2-8-23-11-12/h2,8,11H,1,3-7,9-10H2,(H,17,18)
InChIKeyRNCLWAONUQATGQ-UHFFFAOYSA-N
XLogP1.50
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[5-(pyridin-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155823743
(4-methylpiperazin-1-yl)-[6-(pyridin-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389003
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26147078
N,N-dimethyl-5-(thiophen-3-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461962
[6-(furan-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 97381233
[5-[(5-methylfuran-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97389040
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
[6-[(4-methoxyphenyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155847343
morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
CID 97408303
(4-ethylphenyl)-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 91914447
1-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 97461866
(2S)-1-morpholin-4-yl-2-phenyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 30955979

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (CID 97408296) is morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is O=C(c1n[nH]c2c1CCN(Cc1ccsc1)C2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The InChIKey is RNCLWAONUQATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(20-4-6-22-7-5-20)15-13-1-3-19(10-14(13)17-18-15)9-12-2-8-23-11-12/h2,8,11H,1,3-7,9-10H2,(H,17,18).
What are the key properties of morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(thiophen-3-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is sourced from PubChem (CID 97408296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).