2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

C16H20N4O2 — CID 10334971

IUPAC2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCOCC1CCC(COC)N1c1[nH]c2cccnc2c1C#N
InChIInChI=1S/C16H20N4O2/c1-21-9-11-5-6-12(10-22-2)20(11)16-13(8-17)15-14(19-16)4-3-7-18-15/h3-4,7,11-12,19H,5-6,9-10H2,1-2H3
InChIKeyDBGJNLYAUZFTGX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds5

About 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile

2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile (PubChem CID 10334971) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
PubChem CID10334971
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
SMILESCOCC1CCC(COC)N1c1[nH]c2cccnc2c1C#N
InChIInChI=1S/C16H20N4O2/c1-21-9-11-5-6-12(10-22-2)20(11)16-13(8-17)15-14(19-16)4-3-7-18-15/h3-4,7,11-12,19H,5-6,9-10H2,1-2H3
InChIKeyDBGJNLYAUZFTGX-UHFFFAOYSA-N
XLogP2.06
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile (CID 10334971) is 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile is COCC1CCC(COC)N1c1[nH]c2cccnc2c1C#N.
What is the InChIKey of 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
The InChIKey is DBGJNLYAUZFTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-21-9-11-5-6-12(10-22-2)20(11)16-13(8-17)15-14(19-16)4-3-7-18-15/h3-4,7,11-12,19H,5-6,9-10H2,1-2H3.
What are the key properties of 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile?
2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(methoxymethyl)pyrrolidin-1-yl]-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10334971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).