4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C20H16N6O — CID 129206869

IUPAC4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(N)n5)c4c3)cc2c1
InChIInChI=1S/C20H16N6O/c1-27-13-2-3-16-11(6-13)8-18(25-16)12-7-14-15(10-24-19(14)23-9-12)17-4-5-22-20(21)26-17/h2-10,25H,1H3,(H,23,24)(H2,21,22,26)
InChIKeyXBCKUDPRGSZKAN-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.76
Rot. Bonds3

About 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 129206869) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID129206869
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(N)n5)c4c3)cc2c1
InChIInChI=1S/C20H16N6O/c1-27-13-2-3-16-11(6-13)8-18(25-16)12-7-14-15(10-24-19(14)23-9-12)17-4-5-22-20(21)26-17/h2-10,25H,1H3,(H,23,24)(H2,21,22,26)
InChIKeyXBCKUDPRGSZKAN-UHFFFAOYSA-N
XLogP3.76
TPSA105.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 129206869) is 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is COc1ccc2[nH]c(-c3cnc4[nH]cc(-c5ccnc(N)n5)c4c3)cc2c1.
What is the InChIKey of 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XBCKUDPRGSZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c1-27-13-2-3-16-11(6-13)8-18(25-16)12-7-14-15(10-24-19(14)23-9-12)17-4-5-22-20(21)26-17/h2-10,25H,1H3,(H,23,24)(H2,21,22,26).
What are the key properties of 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 356.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 129206869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).