[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone

C22H20N6O2 — CID 155516993

IUPAC[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(C(=O)N5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C22H20N6O2/c1-15-23-12-18(13-24-15)20-5-6-28-21(26-20)19(14-25-28)16-3-2-4-17(11-16)22(29)27-7-9-30-10-8-27/h2-6,11-14H,7-10H2,1H3
InChIKeyVEVXGHGKAGUTEY-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.63
Rot. Bonds3

About [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone

[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 155516993) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID155516993
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ncc(-c2ccn3ncc(-c4cccc(C(=O)N5CCOCC5)c4)c3n2)cn1
InChIInChI=1S/C22H20N6O2/c1-15-23-12-18(13-24-15)20-5-6-28-21(26-20)19(14-25-28)16-3-2-4-17(11-16)22(29)27-7-9-30-10-8-27/h2-6,11-14H,7-10H2,1H3
InChIKeyVEVXGHGKAGUTEY-UHFFFAOYSA-N
XLogP2.63
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone (CID 155516993) is [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone is Cc1ncc(-c2ccn3ncc(-c4cccc(C(=O)N5CCOCC5)c4)c3n2)cn1.
What is the InChIKey of [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VEVXGHGKAGUTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-15-23-12-18(13-24-15)20-5-6-28-21(26-20)19(14-25-28)16-3-2-4-17(11-16)22(29)27-7-9-30-10-8-27/h2-6,11-14H,7-10H2,1H3.
What are the key properties of [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone?
[3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 400.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155516993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).