1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

About 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 158025615) has the molecular formula C23H19F2N5O3 and a molecular weight of 451.43 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name	1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID	158025615
Molecular Formula	C23H19F2N5O3
Molecular Weight	451.43 g/mol
Exact Mass	451.15
IUPAC Name	1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILES	C#Cc1cccc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F
InChI	InChI=1S/C23H19F2N5O3/c1-2-13-4-3-5-14(21(13)25)8-19(31)17-9-15(24)11-29(17)20(32)12-30-18-10-27-7-6-16(18)22(28-30)23(26)33/h1,3-7,10,15,17H,8-9,11-12H2,(H2,26,33)/t15-,17+/m1/s1
InChIKey	FGONUQLSTPBMJH-WBVHZDCISA-N
XLogP	1.40
TPSA	111.18 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.43
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 158025615) is 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is C#Cc1cccc(CC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Cn2nc(C(N)=O)c3ccncc32)c1F.

What is the InChIKey of 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is FGONUQLSTPBMJH-WBVHZDCISA-N. The full InChI is InChI=1S/C23H19F2N5O3/c1-2-13-4-3-5-14(21(13)25)8-19(31)17-9-15(24)11-29(17)20(32)12-30-18-10-27-7-6-16(18)22(28-30)23(26)33/h1,3-7,10,15,17H,8-9,11-12H2,(H2,26,33)/t15-,17+/m1/s1.

What are the key properties of 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 451.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S,4R)-2-[2-(3-ethynyl-2-fluorophenyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 158025615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).