4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine

C20H25N7 — CID 46230172

IUPAC4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23)
InChIKeyXQDLITNOVPCUMD-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.42
Rot. Bonds3

About 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine

4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46230172) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID46230172
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)c2cc[nH]c2n1
InChIInChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23)
InChIKeyXQDLITNOVPCUMD-UHFFFAOYSA-N
XLogP2.42
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine (CID 46230172) is 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine is c1cc(-c2cnc(N3CCCC3)c(N3CCCNCC3)n2)c2cc[nH]c2n1.
What is the InChIKey of 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is XQDLITNOVPCUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-2-11-26(10-1)19-20(27-12-3-6-21-9-13-27)25-17(14-24-19)15-4-7-22-18-16(15)5-8-23-18/h4-5,7-8,14,21H,1-3,6,9-13H2,(H,22,23).
What are the key properties of 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 363.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,4-diazepan-1-yl)-5-pyrrolidin-1-ylpyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46230172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).