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

C16H17N5 — CID 90765738

IUPAC3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccnc(N4CCCCC4)n3)c2c1
InChIInChI=1S/C16H17N5/c1-2-9-21(10-3-1)16-18-8-6-14(20-16)13-11-19-15-12(13)5-4-7-17-15/h4-8,11H,1-3,9-10H2,(H,17,19)
InChIKeyUMPRPWIMIXAZFO-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.01
Rot. Bonds2

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

3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90765738) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90765738
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3ccnc(N4CCCCC4)n3)c2c1
InChIInChI=1S/C16H17N5/c1-2-9-21(10-3-1)16-18-8-6-14(20-16)13-11-19-15-12(13)5-4-7-17-15/h4-8,11H,1-3,9-10H2,(H,17,19)
InChIKeyUMPRPWIMIXAZFO-UHFFFAOYSA-N
XLogP3.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90765738) is 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(-c3ccnc(N4CCCCC4)n3)c2c1.
What is the InChIKey of 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UMPRPWIMIXAZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-9-21(10-3-1)16-18-8-6-14(20-16)13-11-19-15-12(13)5-4-7-17-15/h4-8,11H,1-3,9-10H2,(H,17,19).
What are the key properties of 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 279.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90765738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).