5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

C12H15BrN4 — CID 155253895

IUPAC5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESBrc1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C12H15BrN4/c13-10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H2,15,16,17)
InChIKeyAPZUICNYEAOPTO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.49
Rot. Bonds2

About 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine

5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 155253895) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID155253895
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESBrc1cnc2[nH]ccc2c1NC1CCCNC1
InChIInChI=1S/C12H15BrN4/c13-10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H2,15,16,17)
InChIKeyAPZUICNYEAOPTO-UHFFFAOYSA-N
XLogP2.49
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 155253895) is 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is Brc1cnc2[nH]ccc2c1NC1CCCNC1.
What is the InChIKey of 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is APZUICNYEAOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-10-7-16-12-9(3-5-15-12)11(10)17-8-2-1-4-14-6-8/h3,5,7-8,14H,1-2,4,6H2,(H2,15,16,17).
What are the key properties of 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 295.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 155253895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).