[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone

C14H14N6O2 — CID 97413568

IUPAC[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
SMILESCn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccno1)C2
InChIInChI=1S/C14H14N6O2/c1-18-12-8-20(14(21)13-2-3-16-22-13)6-10(12)11(17-18)7-19-5-4-15-9-19/h2-5,9H,6-8H2,1H3
InChIKeySGWSEZSCWXCSQQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.81
Rot. Bonds3

About [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone

[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 97413568) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID97413568
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
SMILESCn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccno1)C2
InChIInChI=1S/C14H14N6O2/c1-18-12-8-20(14(21)13-2-3-16-22-13)6-10(12)11(17-18)7-19-5-4-15-9-19/h2-5,9H,6-8H2,1H3
InChIKeySGWSEZSCWXCSQQ-UHFFFAOYSA-N
XLogP0.81
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
CID 97405315
3-(imidazol-1-ylmethyl)-1-methyl-5-(1H-pyrrol-2-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97405313
4-[1-methyl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-4-oxobutanoic acid
CID 97405381
[3-(imidazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-pyridin-3-ylmethanone
CID 97410174
[2-(3-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone
CID 90501627
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 43924627
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463
[3-[(dimethylamino)methyl]-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methylthiophen-2-yl)methanone
CID 97405275
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
1-methyl-5-pyrimidin-2-yl-3-(pyrrol-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97405305

Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone (CID 97413568) is [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone is Cn1nc(Cn2ccnc2)c2c1CN(C(=O)c1ccno1)C2.
What is the InChIKey of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is SGWSEZSCWXCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-18-12-8-20(14(21)13-2-3-16-22-13)6-10(12)11(17-18)7-19-5-4-15-9-19/h2-5,9H,6-8H2,1H3.
What are the key properties of [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone?
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 298.31 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 97413568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).