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

C21H29N7O2 — CID 164570544

IUPAC7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
SMILESCC.CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(OCCO)n3)nc12
InChIInChI=1S/C19H23N7O2.C2H6/c1-3-14-12(2)25-26-17(21)15(11-20)18(24-19(14)26)22-8-7-13-5-4-6-16(23-13)28-10-9-27;1-2/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24);1-2H3
InChIKeyGFHCMBAAONOKDT-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.50
Rot. Bonds8

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

7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane (PubChem CID 164570544) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane.

Molecular Properties

Compound Name7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
PubChem CID164570544
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane
SMILESCC.CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(OCCO)n3)nc12
InChIInChI=1S/C19H23N7O2.C2H6/c1-3-14-12(2)25-26-17(21)15(11-20)18(24-19(14)26)22-8-7-13-5-4-6-16(23-13)28-10-9-27;1-2/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24);1-2H3
InChIKeyGFHCMBAAONOKDT-UHFFFAOYSA-N
XLogP2.50
TPSA134.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

7-amino-3-ethyl-5-[2-[6-(2-hydroxyethyl)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570855
7-amino-3-ethyl-2-methyl-5-[2-[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570789
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570609
7-amino-5-[2-(1-tert-butylpyrazol-3-yl)ethylamino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570630
7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570616
7-amino-2-ethyl-5-[2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]ethylamino]-3-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570623
7-amino-3-ethyl-2-methyl-5-[2-[1-(3-methylsulfinylpropyl)-2-oxo-3-pyridinyl]ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570677
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[1-(hydroxymethyl)cyclopropyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570832
7-amino-3-ethyl-5-[[(Z)-3-iminohex-4-enyl]amino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570976
N-[3-[3-[2-[(7-amino-6-cyano-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]-2-oxo-1-pyridinyl]propyl]formamide
CID 167162922
7-amino-3-(cyclopropylmethyl)-5-[2-[1-[2-(hydroxymethyl)cyclobutyl]pyrazol-3-yl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 164570823
7-amino-5-[[3-amino-5-(1-hydroxypropan-2-ylimino)pent-3-enyl]amino]-3-ethyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 174021467

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
The IUPAC name of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane (CID 164570544) is 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane.
What is the SMILES notation for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
The canonical SMILES for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane is CC.CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccc(OCCO)n3)nc12.
What is the InChIKey of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
The InChIKey is GFHCMBAAONOKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2.C2H6/c1-3-14-12(2)25-26-17(21)15(11-20)18(24-19(14)26)22-8-7-13-5-4-6-16(23-13)28-10-9-27;1-2/h4-6,27H,3,7-10,21H2,1-2H3,(H,22,24);1-2H3.
What are the key properties of 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane?
7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane has a molecular weight of 411.51 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-5-[2-[6-(2-hydroxyethoxy)-2-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethane is sourced from PubChem (CID 164570544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).