cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C16H22N4O3 — CID 91917561

IUPACcyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H22N4O3/c1-18-13-10-20(15(21)11-3-2-4-11)9-12(13)14(17-18)16(22)19-5-7-23-8-6-19/h11H,2-10H2,1H3
InChIKeyMGKQFRXOAIKDAH-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.53
Rot. Bonds2

About cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 91917561) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID91917561
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Namecyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCn1nc(C(=O)N2CCOCC2)c2c1CN(C(=O)C1CCC1)C2
InChIInChI=1S/C16H22N4O3/c1-18-13-10-20(15(21)11-3-2-4-11)9-12(13)14(17-18)16(22)19-5-7-23-8-6-19/h11H,2-10H2,1H3
InChIKeyMGKQFRXOAIKDAH-UHFFFAOYSA-N
XLogP0.53
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
CID 91917560
cyclobutyl-[3-(morpholine-4-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 42873495
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 155901237
1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 50831077
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
CID 91917559
(3S)-1-[5-(cyclobutanecarbonyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonyl]-N,N-diethylpiperidine-3-carboxamide
CID 95052867
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
[5-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 155901549
4-[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-[(3R)-3-pyrrolidin-1-ylbutyl]butanamide
CID 95052827
methyl 2-[[1-methyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 53066967
[1-methyl-1'-(oxan-4-yl)spiro[4,7-dihydropyrano[4,3-c]pyrazole-6,4'-piperidine]-3-yl]-pyrrolidin-1-ylmethanone
CID 146068231

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 91917561) is cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is Cn1nc(C(=O)N2CCOCC2)c2c1CN(C(=O)C1CCC1)C2.
What is the InChIKey of cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is MGKQFRXOAIKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-18-13-10-20(15(21)11-3-2-4-11)9-12(13)14(17-18)16(22)19-5-7-23-8-6-19/h11H,2-10H2,1H3.
What are the key properties of cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 318.38 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 91917561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).