5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine

C19H14N6 — CID 46213938

IUPAC5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1
InChIInChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)
InChIKeyMPTRQLXNBJOFSI-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.75
Rot. Bonds2

About 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine

5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine (PubChem CID 46213938) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
PubChem CID46213938
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1
InChIInChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25)
InChIKeyMPTRQLXNBJOFSI-UHFFFAOYSA-N
XLogP3.75
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine (CID 46213938) is 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine is Nc1ncc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cn1.
What is the InChIKey of 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
The InChIKey is MPTRQLXNBJOFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c20-19-24-8-14(9-25-19)13-6-15-16(10-23-18(15)22-7-13)11-1-2-17-12(5-11)3-4-21-17/h1-10,21H,(H,22,23)(H2,20,24,25).
What are the key properties of 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine?
5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine has a molecular weight of 326.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 46213938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).