5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile

C19H20N8O — CID 78322872

IUPAC5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)cnc1N1CCCC1
InChIInChI=1S/C19H20N8O/c20-10-14-9-15(11-22-18(14)26-5-1-2-6-26)17-3-4-21-19(25-17)24-16-12-23-27(13-16)7-8-28/h3-4,9,11-13,28H,1-2,5-8H2,(H,21,24,25)
InChIKeyLHPOLMVICTXNGT-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.94
Rot. Bonds6

About 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile

5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile (PubChem CID 78322872) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
PubChem CID78322872
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)cnc1N1CCCC1
InChIInChI=1S/C19H20N8O/c20-10-14-9-15(11-22-18(14)26-5-1-2-6-26)17-3-4-21-19(25-17)24-16-12-23-27(13-16)7-8-28/h3-4,9,11-13,28H,1-2,5-8H2,(H,21,24,25)
InChIKeyLHPOLMVICTXNGT-UHFFFAOYSA-N
XLogP1.94
TPSA115.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The IUPAC name of 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile (CID 78322872) is 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile is N#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)cnc1N1CCCC1.
What is the InChIKey of 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
The InChIKey is LHPOLMVICTXNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c20-10-14-9-15(11-22-18(14)26-5-1-2-6-26)17-3-4-21-19(25-17)24-16-12-23-27(13-16)7-8-28/h3-4,9,11-13,28H,1-2,5-8H2,(H,21,24,25).
What are the key properties of 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile?
5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile has a molecular weight of 376.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylpyridine-3-carbonitrile is sourced from PubChem (CID 78322872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).