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

C17H26FN5O — CID 67491700

IUPAC(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone
SMILESCC1(C)c2[nH]nc(N)c2CN1C(=O)C1(F)CCN(C2CCC2)CC1
InChIInChI=1S/C17H26FN5O/c1-16(2)13-12(14(19)21-20-13)10-23(16)15(24)17(18)6-8-22(9-7-17)11-4-3-5-11/h11H,3-10H2,1-2H3,(H3,19,20,21)
InChIKeyAMFYZXJEKOYYTH-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.93
Rot. Bonds2

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

(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone (PubChem CID 67491700) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone
PubChem CID67491700
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone
SMILESCC1(C)c2[nH]nc(N)c2CN1C(=O)C1(F)CCN(C2CCC2)CC1
InChIInChI=1S/C17H26FN5O/c1-16(2)13-12(14(19)21-20-13)10-23(16)15(24)17(18)6-8-22(9-7-17)11-4-3-5-11/h11H,3-10H2,1-2H3,(H3,19,20,21)
InChIKeyAMFYZXJEKOYYTH-UHFFFAOYSA-N
XLogP1.93
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone?
The IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone (CID 67491700) is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone.
What is the SMILES notation for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone?
The canonical SMILES for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone is CC1(C)c2[nH]nc(N)c2CN1C(=O)C1(F)CCN(C2CCC2)CC1.
What is the InChIKey of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone?
The InChIKey is AMFYZXJEKOYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-16(2)13-12(14(19)21-20-13)10-23(16)15(24)17(18)6-8-22(9-7-17)11-4-3-5-11/h11H,3-10H2,1-2H3,(H3,19,20,21).
What are the key properties of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone?
(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone has a molecular weight of 335.43 g/mol, XLogP of 1.93, 2 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)-(1-cyclobutyl-4-fluoropiperidin-4-yl)methanone is sourced from PubChem (CID 67491700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).