2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide

C22H19N7O — CID 90029204

IUPAC2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1
InChIInChI=1S/C22H19N7O/c23-21(30)14-29-12-17(8-26-29)16-6-19-20(10-25-22(19)24-7-16)18-9-27-28(13-18)11-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2,(H2,23,30)(H,24,25)
InChIKeyMUUDUIRSSKZSKS-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.82
Rot. Bonds6

About 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide

2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide (PubChem CID 90029204) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
PubChem CID90029204
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1
InChIInChI=1S/C22H19N7O/c23-21(30)14-29-12-17(8-26-29)16-6-19-20(10-25-22(19)24-7-16)18-9-27-28(13-18)11-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2,(H2,23,30)(H,24,25)
InChIKeyMUUDUIRSSKZSKS-UHFFFAOYSA-N
XLogP2.82
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide (CID 90029204) is 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccccc5)c4)c3c2)cn1.
What is the InChIKey of 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide?
The InChIKey is MUUDUIRSSKZSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-21(30)14-29-12-17(8-26-29)16-6-19-20(10-25-22(19)24-7-16)18-9-27-28(13-18)11-15-4-2-1-3-5-15/h1-10,12-13H,11,14H2,(H2,23,30)(H,24,25).
What are the key properties of 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide?
2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide has a molecular weight of 397.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-benzylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 90029204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).