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

C20H25N7O2 — CID 164570616

IUPAC7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCO)c3=O)nc12
InChIInChI=1S/C20H25N7O2/c1-3-15-13(2)25-27-17(22)16(12-21)18(24-19(15)27)23-8-7-14-6-4-9-26(20(14)29)10-5-11-28/h4,6,9,28H,3,5,7-8,10-11,22H2,1-2H3,(H,23,24)
InChIKeyQISWFIKHUYBPEW-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.25
Rot. Bonds8

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

7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570616) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570616
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCO)c3=O)nc12
InChIInChI=1S/C20H25N7O2/c1-3-15-13(2)25-27-17(22)16(12-21)18(24-19(15)27)23-8-7-14-6-4-9-26(20(14)29)10-5-11-28/h4,6,9,28H,3,5,7-8,10-11,22H2,1-2H3,(H,23,24)
InChIKeyQISWFIKHUYBPEW-UHFFFAOYSA-N
XLogP1.25
TPSA134.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570616) is 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCc3cccn(CCCO)c3=O)nc12.
What is the InChIKey of 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is QISWFIKHUYBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-3-15-13(2)25-27-17(22)16(12-21)18(24-19(15)27)23-8-7-14-6-4-9-26(20(14)29)10-5-11-28/h4,6,9,28H,3,5,7-8,10-11,22H2,1-2H3,(H,23,24).
What are the key properties of 7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-ethyl-5-[2-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 1.25, 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-[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]ethylamino]-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).