1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine

C17H19N5 — CID 56882830

IUPAC1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(-c3cc(N4CCCCC4)ncn3)ccnc21
InChIInChI=1S/C17H19N5/c1-21-10-6-14-13(5-7-18-17(14)21)15-11-16(20-12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeySXOLMGNISZFMIL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.02
Rot. Bonds2

About 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine

1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine (PubChem CID 56882830) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
PubChem CID56882830
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine
SMILESCn1ccc2c(-c3cc(N4CCCCC4)ncn3)ccnc21
InChIInChI=1S/C17H19N5/c1-21-10-6-14-13(5-7-18-17(14)21)15-11-16(20-12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3
InChIKeySXOLMGNISZFMIL-UHFFFAOYSA-N
XLogP3.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine (CID 56882830) is 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine is Cn1ccc2c(-c3cc(N4CCCCC4)ncn3)ccnc21.
What is the InChIKey of 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
The InChIKey is SXOLMGNISZFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-21-10-6-14-13(5-7-18-17(14)21)15-11-16(20-12-19-15)22-8-3-2-4-9-22/h5-7,10-12H,2-4,8-9H2,1H3.
What are the key properties of 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine?
1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 56882830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).