[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone

C16H22N4O3 — CID 91917560

IUPAC[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)C1CCCO1)C2
InChIInChI=1S/C16H22N4O3/c1-18-12-10-20(15(21)13-5-4-8-23-13)9-11(12)14(17-18)16(22)19-6-2-3-7-19/h13H,2-10H2,1H3
InChIKeyVYFOXQKZKLKRAY-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.68
Rot. Bonds2

About [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone

[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone (PubChem CID 91917560) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
PubChem CID91917560
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)C1CCCO1)C2
InChIInChI=1S/C16H22N4O3/c1-18-12-10-20(15(21)13-5-4-8-23-13)9-11(12)14(17-18)16(22)19-6-2-3-7-19/h13H,2-10H2,1H3
InChIKeyVYFOXQKZKLKRAY-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[1-methyl-3-(morpholine-4-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
CID 91917561
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
CID 91917559
(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
4-[1-methyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 53017959
[1-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
CID 83275656
[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 164636981
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
[5-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 155901549
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134701735
[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97389072
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone (CID 91917560) is [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone is Cn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)C1CCCO1)C2.
What is the InChIKey of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone?
The InChIKey is VYFOXQKZKLKRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-18-12-10-20(15(21)13-5-4-8-23-13)9-11(12)14(17-18)16(22)19-6-2-3-7-19/h13H,2-10H2,1H3.
What are the key properties of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone?
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 91917560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).