4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

C17H12ClN5 — CID 71580914

IUPAC4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3cccc(Cl)c3)c3cnccc32)n1
InChIInChI=1S/C17H12ClN5/c18-12-3-1-2-11(8-12)14-10-23(15-4-6-20-9-13(14)15)16-5-7-21-17(19)22-16/h1-10H,(H2,19,21,22)
InChIKeyYWEGMYFIQUEIBO-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.72
Rot. Bonds2

About 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine

4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (PubChem CID 71580914) has the molecular formula C17H12ClN5 and a molecular weight of 321.77 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
PubChem CID71580914
Molecular FormulaC17H12ClN5
Molecular Weight321.77 g/mol
Exact Mass321.08
IUPAC Name4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(-n2cc(-c3cccc(Cl)c3)c3cnccc32)n1
InChIInChI=1S/C17H12ClN5/c18-12-3-1-2-11(8-12)14-10-23(15-4-6-20-9-13(14)15)16-5-7-21-17(19)22-16/h1-10H,(H2,19,21,22)
InChIKeyYWEGMYFIQUEIBO-UHFFFAOYSA-N
XLogP3.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine (CID 71580914) is 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is Nc1nccc(-n2cc(-c3cccc(Cl)c3)c3cnccc32)n1.
What is the InChIKey of 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
The InChIKey is YWEGMYFIQUEIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5/c18-12-3-1-2-11(8-12)14-10-23(15-4-6-20-9-13(14)15)16-5-7-21-17(19)22-16/h1-10H,(H2,19,21,22).
What are the key properties of 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine?
4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine has a molecular weight of 321.77 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 71580914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).