4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide

C21H20N6O — CID 59812069

IUPAC4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C21H20N6O/c28-21(26-27-7-1-2-8-27)15-5-3-14(4-6-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16/h3-6,9-13H,1-2,7-8H2,(H,22,23)(H,24,25)(H,26,28)
InChIKeyOVJYDOCSHHHWGH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.36
Rot. Bonds4

About 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide

4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide (PubChem CID 59812069) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide
PubChem CID59812069
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide
SMILESO=C(NN1CCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C21H20N6O/c28-21(26-27-7-1-2-8-27)15-5-3-14(4-6-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16/h3-6,9-13H,1-2,7-8H2,(H,22,23)(H,24,25)(H,26,28)
InChIKeyOVJYDOCSHHHWGH-UHFFFAOYSA-N
XLogP3.36
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide?
The IUPAC name of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide (CID 59812069) is 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide is O=C(NN1CCCC1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide?
The InChIKey is OVJYDOCSHHHWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-21(26-27-7-1-2-8-27)15-5-3-14(4-6-15)16-9-18-19(17-11-24-25-12-17)13-23-20(18)22-10-16/h3-6,9-13H,1-2,7-8H2,(H,22,23)(H,24,25)(H,26,28).
What are the key properties of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide?
4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide has a molecular weight of 372.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 59812069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).