furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C17H22N4O2 — CID 97405332

IUPACfuran-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H22N4O2/c1-19-16-11-21(17(22)13-5-8-23-12-13)9-14(16)15(18-19)10-20-6-3-2-4-7-20/h5,8,12H,2-4,6-7,9-11H2,1H3
InChIKeyZNETVGBESBFFNE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.15
Rot. Bonds3

About furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 97405332) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID97405332
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Namefuran-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccoc1)C2
InChIInChI=1S/C17H22N4O2/c1-19-16-11-21(17(22)13-5-8-23-12-13)9-14(16)15(18-19)10-20-6-3-2-4-7-20/h5,8,12H,2-4,6-7,9-11H2,1H3
InChIKeyZNETVGBESBFFNE-UHFFFAOYSA-N
XLogP2.15
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-thiophen-3-ylmethanone
CID 97405017
[3-(hydroxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72911179
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 97413568
[4-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 75471888
[1-(furan-3-carbonyl)piperidin-3-yl]-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 42958268
[1-(cyclopropylmethyl)-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(furan-3-yl)methanone
CID 71837217
(2-methylpyrazol-3-yl)-[3-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydrotriazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131687578
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
furan-3-yl-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334677
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 97405332) is furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccoc1)C2.
What is the InChIKey of furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is ZNETVGBESBFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-19-16-11-21(17(22)13-5-8-23-12-13)9-14(16)15(18-19)10-20-6-3-2-4-7-20/h5,8,12H,2-4,6-7,9-11H2,1H3.
What are the key properties of furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[1-methyl-3-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 97405332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).