4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C17H17N5O — CID 86287808

IUPAC4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
InChIInChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
InChIKeyPSCIVEPEARWYTD-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.19
Rot. Bonds3

About 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 86287808) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID86287808
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
InChIInChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
InChIKeyPSCIVEPEARWYTD-UHFFFAOYSA-N
XLogP2.19
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 86287808) is 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12.
What is the InChIKey of 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is PSCIVEPEARWYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20).
What are the key properties of 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 307.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(morpholin-4-ylmethyl)pyrrol-3-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 86287808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).