2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine

C17H13N5 — CID 90468502

IUPAC2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESc1cncc(-c2cc3cnc(Nc4ccncc4)cc3[nH]2)c1
InChIInChI=1S/C17H13N5/c1-2-12(10-19-5-1)15-8-13-11-20-17(9-16(13)22-15)21-14-3-6-18-7-4-14/h1-11,22H,(H,18,20,21)
InChIKeyULYFFTXXURLVRK-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.76
Rot. Bonds3

About 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine

2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 90468502) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID90468502
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESc1cncc(-c2cc3cnc(Nc4ccncc4)cc3[nH]2)c1
InChIInChI=1S/C17H13N5/c1-2-12(10-19-5-1)15-8-13-11-20-17(9-16(13)22-15)21-14-3-6-18-7-4-14/h1-11,22H,(H,18,20,21)
InChIKeyULYFFTXXURLVRK-UHFFFAOYSA-N
XLogP3.76
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 90468502) is 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine is c1cncc(-c2cc3cnc(Nc4ccncc4)cc3[nH]2)c1.
What is the InChIKey of 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is ULYFFTXXURLVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-12(10-19-5-1)15-8-13-11-20-17(9-16(13)22-15)21-14-3-6-18-7-4-14/h1-11,22H,(H,18,20,21).
What are the key properties of 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine?
2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 287.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 90468502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).