(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C26H26FN5O3 — CID 72944803

IUPAC(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CC(c3ccccc3F)C2)c2ncccc12
InChIInChI=1S/C26H26FN5O3/c1-14(33)24-19-6-4-8-28-25(19)31(30-24)13-23(34)32-21-11-16(21)12-22(32)26(35)29-17-9-15(10-17)18-5-2-3-7-20(18)27/h2-8,15-17,21-22H,9-13H2,1H3,(H,29,35)/t15?,16-,17?,21-,22+/m1/s1
InChIKeyUXYISJTVGXUHFY-GRSRJZHPSA-N
MW475.52 g/mol
LogP2.82
Rot. Bonds6

About (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 72944803) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID72944803
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CC(c3ccccc3F)C2)c2ncccc12
InChIInChI=1S/C26H26FN5O3/c1-14(33)24-19-6-4-8-28-25(19)31(30-24)13-23(34)32-21-11-16(21)12-22(32)26(35)29-17-9-15(10-17)18-5-2-3-7-20(18)27/h2-8,15-17,21-22H,9-13H2,1H3,(H,29,35)/t15?,16-,17?,21-,22+/m1/s1
InChIKeyUXYISJTVGXUHFY-GRSRJZHPSA-N
XLogP2.82
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 72944803) is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)NC2CC(c3ccccc3F)C2)c2ncccc12.
What is the InChIKey of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is UXYISJTVGXUHFY-GRSRJZHPSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-14(33)24-19-6-4-8-28-25(19)31(30-24)13-23(34)32-21-11-16(21)12-22(32)26(35)29-17-9-15(10-17)18-5-2-3-7-20(18)27/h2-8,15-17,21-22H,9-13H2,1H3,(H,29,35)/t15?,16-,17?,21-,22+/m1/s1.
What are the key properties of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[3-(2-fluorophenyl)cyclobutyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 72944803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).