N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C24H24FN5O2 — CID 170009605

IUPACN-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3ccnn3C3CCCCO3)cc12)c1cccc(F)c1
InChIInChI=1S/C24H24FN5O2/c1-15(16-5-4-6-18(25)11-16)29-24(31)20-14-27-23-19(20)12-17(13-26-23)21-8-9-28-30(21)22-7-2-3-10-32-22/h4-6,8-9,11-15,22H,2-3,7,10H2,1H3,(H,26,27)(H,29,31)
InChIKeyFYBJDRIRVKLUIW-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.76
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 170009605) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID170009605
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3ccnn3C3CCCCO3)cc12)c1cccc(F)c1
InChIInChI=1S/C24H24FN5O2/c1-15(16-5-4-6-18(25)11-16)29-24(31)20-14-27-23-19(20)12-17(13-26-23)21-8-9-28-30(21)22-7-2-3-10-32-22/h4-6,8-9,11-15,22H,2-3,7,10H2,1H3,(H,26,27)(H,29,31)
InChIKeyFYBJDRIRVKLUIW-UHFFFAOYSA-N
XLogP4.76
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 170009605) is N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3ccnn3C3CCCCO3)cc12)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is FYBJDRIRVKLUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15(16-5-4-6-18(25)11-16)29-24(31)20-14-27-23-19(20)12-17(13-26-23)21-8-9-28-30(21)22-7-2-3-10-32-22/h4-6,8-9,11-15,22H,2-3,7,10H2,1H3,(H,26,27)(H,29,31).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 170009605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).