N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C23H29FN6O2 — CID 59508321

About N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 59508321) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
• PubChem CID: 59508321
• Molecular Formula: C23H29FN6O2
• Molecular Weight: 440.52 g/mol
• Exact Mass: 440.23
• IUPAC Name: N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
• SMILES: CC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)C1(F)CCN(C2CCC2)CC1
• InChI: InChI=1S/C23H29FN6O2/c1-22(2)18-16(19(28-27-18)26-20(31)17-8-3-4-11-25-17)14-30(22)21(32)23(24)9-12-29(13-10-23)15-6-5-7-15/h3-4,8,11,15H,5-7,9-10,12-14H2,1-2H3,(H2,26,27,28,31)
• InChIKey: CYPWXDWMPJMZLB-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.52
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The IUPAC name of N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 59508321) is N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is CC1(C)c2[nH]nc(NC(=O)c3ccccn3)c2CN1C(=O)C1(F)CCN(C2CCC2)CC1.

What is the InChIKey of N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The InChIKey is CYPWXDWMPJMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-22(2)18-16(19(28-27-18)26-20(31)17-8-3-4-11-25-17)14-30(22)21(32)23(24)9-12-29(13-10-23)15-6-5-7-15/h3-4,8,11,15H,5-7,9-10,12-14H2,1-2H3,(H2,26,27,28,31).

What are the key properties of N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-cyclobutyl-4-fluoropiperidine-4-carbonyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59508321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).