7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H23N7O — CID 164570855

IUPAC7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(CCO)n3)nc12
InChIInChI=1S/C19H23N7O/c1-3-15-12(2)25-26-17(21)16(11-20)18(24-19(15)26)22-9-7-13-5-4-6-14(23-13)8-10-27/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24)
InChIKeyJYAWNEQURIDVFC-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.64
Rot. Bonds7

About 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570855) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570855
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(CCO)n3)nc12
InChIInChI=1S/C19H23N7O/c1-3-15-12(2)25-26-17(21)16(11-20)18(24-19(15)26)22-9-7-13-5-4-6-14(23-13)8-10-27/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24)
InChIKeyJYAWNEQURIDVFC-UHFFFAOYSA-N
XLogP1.64
TPSA125.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570855) is 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(CCO)n3)nc12.
What is the InChIKey of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JYAWNEQURIDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-3-15-12(2)25-26-17(21)16(11-20)18(24-19(15)26)22-9-7-13-5-4-6-14(23-13)8-10-27/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24).
What are the key properties of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).