(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone

C14H22FN5O — CID 59333909

IUPAC(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(F)(C(=O)N2Cc3c(N)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C14H22FN5O/c1-13(2)10-9(11(16)18-17-10)8-20(13)12(21)14(15)4-6-19(3)7-5-14/h4-8H2,1-3H3,(H3,16,17,18)
InChIKeyPUQUUWAIIMORED-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.00
Rot. Bonds1

About (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone

(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone (PubChem CID 59333909) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone
PubChem CID59333909
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone
SMILESCN1CCC(F)(C(=O)N2Cc3c(N)n[nH]c3C2(C)C)CC1
InChIInChI=1S/C14H22FN5O/c1-13(2)10-9(11(16)18-17-10)8-20(13)12(21)14(15)4-6-19(3)7-5-14/h4-8H2,1-3H3,(H3,16,17,18)
InChIKeyPUQUUWAIIMORED-UHFFFAOYSA-N
XLogP1.00
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone?
The IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone (CID 59333909) is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone?
The canonical SMILES for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone is CN1CCC(F)(C(=O)N2Cc3c(N)n[nH]c3C2(C)C)CC1.
What is the InChIKey of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone?
The InChIKey is PUQUUWAIIMORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-13(2)10-9(11(16)18-17-10)8-20(13)12(21)14(15)4-6-19(3)7-5-14/h4-8H2,1-3H3,(H3,16,17,18).
What are the key properties of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone?
(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone has a molecular weight of 295.36 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(4-fluoro-1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 59333909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).