4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine

C23H24N6O2 — CID 52945753

IUPAC4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1
InChIInChI=1S/C23H24N6O2/c24-22-13-18(5-6-25-22)21-15-27-29-16-19(14-26-23(21)29)17-1-3-20(4-2-17)31-12-9-28-7-10-30-11-8-28/h1-6,13-16H,7-12H2,(H2,24,25)
InChIKeyHEPDAJRNJBNJAE-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.75
Rot. Bonds6

About 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine

4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine (PubChem CID 52945753) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine
PubChem CID52945753
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine
SMILESNc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1
InChIInChI=1S/C23H24N6O2/c24-22-13-18(5-6-25-22)21-15-27-29-16-19(14-26-23(21)29)17-1-3-20(4-2-17)31-12-9-28-7-10-30-11-8-28/h1-6,13-16H,7-12H2,(H2,24,25)
InChIKeyHEPDAJRNJBNJAE-UHFFFAOYSA-N
XLogP2.75
TPSA90.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine (CID 52945753) is 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine is Nc1cc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)ccn1.
What is the InChIKey of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine?
The InChIKey is HEPDAJRNJBNJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c24-22-13-18(5-6-25-22)21-15-27-29-16-19(14-26-23(21)29)17-1-3-20(4-2-17)31-12-9-28-7-10-30-11-8-28/h1-6,13-16H,7-12H2,(H2,24,25).
What are the key properties of 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine?
4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine has a molecular weight of 416.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 52945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).