N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H11N5 — CID 58512139

IUPACN-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2ccc(Nc3ccc4cc[nH]c4n3)nc2[nH]1
InChIInChI=1S/C14H11N5/c1-3-11(18-13-9(1)5-7-15-13)17-12-4-2-10-6-8-16-14(10)19-12/h1-8H,(H3,15,16,17,18,19)
InChIKeyYIRZMQNIFBTJBM-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.18
Rot. Bonds2

About N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58512139) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58512139
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1cc2ccc(Nc3ccc4cc[nH]c4n3)nc2[nH]1
InChIInChI=1S/C14H11N5/c1-3-11(18-13-9(1)5-7-15-13)17-12-4-2-10-6-8-16-14(10)19-12/h1-8H,(H3,15,16,17,18,19)
InChIKeyYIRZMQNIFBTJBM-UHFFFAOYSA-N
XLogP3.18
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 58512139) is N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is c1cc2ccc(Nc3ccc4cc[nH]c4n3)nc2[nH]1.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is YIRZMQNIFBTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-3-11(18-13-9(1)5-7-15-13)17-12-4-2-10-6-8-16-14(10)19-12/h1-8H,(H3,15,16,17,18,19).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 249.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58512139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).