N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H21N7O3 — CID 42099829

IUPACN-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H21N7O3/c29-21(17-12-18(31-26-17)15-4-2-1-3-5-15)22-6-7-28-20-16(13-25-28)19(23-14-24-20)27-8-10-30-11-9-27/h1-5,12-14H,6-11H2,(H,22,29)
InChIKeyHVGQAWJVIOAOSY-UHFFFAOYSA-N
MW419.45 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 42099829) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID42099829
Molecular FormulaC21H21N7O3
Molecular Weight419.45 g/mol
Exact Mass419.17
IUPAC NameN-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H21N7O3/c29-21(17-12-18(31-26-17)15-4-2-1-3-5-15)22-6-7-28-20-16(13-25-28)19(23-14-24-20)27-8-10-30-11-9-27/h1-5,12-14H,6-11H2,(H,22,29)
InChIKeyHVGQAWJVIOAOSY-UHFFFAOYSA-N
XLogP1.75
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 42099829) is N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCCn1ncc2c(N3CCOCC3)ncnc21)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is HVGQAWJVIOAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c29-21(17-12-18(31-26-17)15-4-2-1-3-5-15)22-6-7-28-20-16(13-25-28)19(23-14-24-20)27-8-10-30-11-9-27/h1-5,12-14H,6-11H2,(H,22,29).
What are the key properties of N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42099829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).