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

C22H17N7O — CID 59812110

IUPAC4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESO=C(NNc1ccccn1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C22H17N7O/c30-22(29-28-20-3-1-2-8-23-20)15-6-4-14(5-7-15)16-9-18-19(17-11-26-27-12-17)13-25-21(18)24-10-16/h1-13H,(H,23,28)(H,24,25)(H,26,27)(H,29,30)
InChIKeyQYLPKVOCPHDYAK-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.77
Rot. Bonds5

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

4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide (PubChem CID 59812110) has the molecular formula C22H17N7O and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound Name4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide
PubChem CID59812110
Molecular FormulaC22H17N7O
Molecular Weight395.43 g/mol
Exact Mass395.15
IUPAC Name4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide
SMILESO=C(NNc1ccccn1)c1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C22H17N7O/c30-22(29-28-20-3-1-2-8-23-20)15-6-4-14(5-7-15)16-9-18-19(17-11-26-27-12-17)13-25-21(18)24-10-16/h1-13H,(H,23,28)(H,24,25)(H,26,27)(H,29,30)
InChIKeyQYLPKVOCPHDYAK-UHFFFAOYSA-N
XLogP3.77
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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'-pyridin-2-ylbenzohydrazide?
The IUPAC name of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide (CID 59812110) is 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide?
The canonical SMILES for 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide is O=C(NNc1ccccn1)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'-pyridin-2-ylbenzohydrazide?
The InChIKey is QYLPKVOCPHDYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O/c30-22(29-28-20-3-1-2-8-23-20)15-6-4-14(5-7-15)16-9-18-19(17-11-26-27-12-17)13-25-21(18)24-10-16/h1-13H,(H,23,28)(H,24,25)(H,26,27)(H,29,30).
What are the key properties of 4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide?
4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N'-pyridin-2-ylbenzohydrazide has a molecular weight of 395.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 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'-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 59812110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).