5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

C18H20BrN5 — CID 123310704

IUPAC5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cnc(N2CCC(c3c(Br)cnc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C18H20BrN5/c1-2-12-9-22-18(23-10-12)24-7-4-13(5-8-24)16-14-3-6-20-17(14)21-11-15(16)19/h3,6,9-11,13H,2,4-5,7-8H2,1H3,(H,20,21)
InChIKeyGANWKYBRODKMJI-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine

5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123310704) has the molecular formula C18H20BrN5 and a molecular weight of 386.30 g/mol. Its IUPAC name is 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID123310704
Molecular FormulaC18H20BrN5
Molecular Weight386.30 g/mol
Exact Mass385.09
IUPAC Name5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1cnc(N2CCC(c3c(Br)cnc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C18H20BrN5/c1-2-12-9-22-18(23-10-12)24-7-4-13(5-8-24)16-14-3-6-20-17(14)21-11-15(16)19/h3,6,9-11,13H,2,4-5,7-8H2,1H3,(H,20,21)
InChIKeyGANWKYBRODKMJI-UHFFFAOYSA-N
XLogP4.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 123310704) is 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is CCc1cnc(N2CCC(c3c(Br)cnc4[nH]ccc34)CC2)nc1.
What is the InChIKey of 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GANWKYBRODKMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5/c1-2-12-9-22-18(23-10-12)24-7-4-13(5-8-24)16-14-3-6-20-17(14)21-11-15(16)19/h3,6,9-11,13H,2,4-5,7-8H2,1H3,(H,20,21).
What are the key properties of 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine?
5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 386.30 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123310704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).