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

C16H18N6O2 — CID 91917559

IUPAC[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)c1cnccn1)C2
InChIInChI=1S/C16H18N6O2/c1-20-13-10-22(15(23)12-8-17-4-5-18-12)9-11(13)14(19-20)16(24)21-6-2-3-7-21/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyXGOQDFKTEMPVOL-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.60
Rot. Bonds2

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

[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 91917559) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
PubChem CID91917559
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)c1cnccn1)C2
InChIInChI=1S/C16H18N6O2/c1-20-13-10-22(15(23)12-8-17-4-5-18-12)9-11(13)14(19-20)16(24)21-6-2-3-7-21/h4-5,8H,2-3,6-7,9-10H2,1H3
InChIKeyXGOQDFKTEMPVOL-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91915294
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
1-piperidin-1-yl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110664962
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
4-(pyrazine-2-carbonyl)-1,4-diazepan-2-one
CID 62896264
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
(5-cyclopropyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)-piperidin-1-ylmethanone
CID 163198682

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone (CID 91917559) is [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2c1CN(C(=O)c1cnccn1)C2.
What is the InChIKey of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is XGOQDFKTEMPVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-13-10-22(15(23)12-8-17-4-5-18-12)9-11(13)14(19-20)16(24)21-6-2-3-7-21/h4-5,8H,2-3,6-7,9-10H2,1H3.
What are the key properties of [1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone?
[1-methyl-3-(pyrrolidine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 326.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 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]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91917559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).