7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine

C14H10BrN5 — CID 170351909

IUPAC7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(Br)cc(-c3ccnc4[nH]ccc34)cc12
InChIInChI=1S/C14H10BrN5/c15-11-6-7(5-10-12(11)19-20-13(10)16)8-1-3-17-14-9(8)2-4-18-14/h1-6H,(H,17,18)(H3,16,19,20)
InChIKeySTJAZRSYHXVWBY-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.45
Rot. Bonds1

About 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine

7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine (PubChem CID 170351909) has the molecular formula C14H10BrN5 and a molecular weight of 328.17 g/mol. Its IUPAC name is 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
PubChem CID170351909
Molecular FormulaC14H10BrN5
Molecular Weight328.17 g/mol
Exact Mass327.01
IUPAC Name7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
SMILESNc1n[nH]c2c(Br)cc(-c3ccnc4[nH]ccc34)cc12
InChIInChI=1S/C14H10BrN5/c15-11-6-7(5-10-12(11)19-20-13(10)16)8-1-3-17-14-9(8)2-4-18-14/h1-6H,(H,17,18)(H3,16,19,20)
InChIKeySTJAZRSYHXVWBY-UHFFFAOYSA-N
XLogP3.45
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine (CID 170351909) is 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine is Nc1n[nH]c2c(Br)cc(-c3ccnc4[nH]ccc34)cc12.
What is the InChIKey of 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine?
The InChIKey is STJAZRSYHXVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5/c15-11-6-7(5-10-12(11)19-20-13(10)16)8-1-3-17-14-9(8)2-4-18-14/h1-6H,(H,17,18)(H3,16,19,20).
What are the key properties of 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine?
7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine has a molecular weight of 328.17 g/mol, XLogP of 3.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 170351909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).