2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C21H25N7O — CID 171995732

IUPAC2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(Nc3nccc(N4CCOCC4)n3)C1)CCC2
InChIInChI=1S/C21H25N7O/c22-13-16-12-15-2-1-3-18(15)25-20(16)28-7-5-17(14-28)24-21-23-6-4-19(26-21)27-8-10-29-11-9-27/h4,6,12,17H,1-3,5,7-11,14H2,(H,23,24,26)
InChIKeyQDCKHCRTGPUEHL-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.76
Rot. Bonds4

About 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 171995732) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID171995732
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(Nc3nccc(N4CCOCC4)n3)C1)CCC2
InChIInChI=1S/C21H25N7O/c22-13-16-12-15-2-1-3-18(15)25-20(16)28-7-5-17(14-28)24-21-23-6-4-19(26-21)27-8-10-29-11-9-27/h4,6,12,17H,1-3,5,7-11,14H2,(H,23,24,26)
InChIKeyQDCKHCRTGPUEHL-UHFFFAOYSA-N
XLogP1.76
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 171995732) is 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCC(Nc3nccc(N4CCOCC4)n3)C1)CCC2.
What is the InChIKey of 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is QDCKHCRTGPUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c22-13-16-12-15-2-1-3-18(15)25-20(16)28-7-5-17(14-28)24-21-23-6-4-19(26-21)27-8-10-29-11-9-27/h4,6,12,17H,1-3,5,7-11,14H2,(H,23,24,26).
What are the key properties of 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-morpholin-4-ylpyrimidin-2-yl)amino]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 171995732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).