4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one

C25H20N6O3 — CID 166738323

IUPAC4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4=O)c4oc(-c5ccccn5)cc4n3)n2)c1
InChIInChI=1S/C25H20N6O3/c1-16-5-4-6-17(13-16)18-8-10-31(29-18)25-27-20-14-21(19-7-2-3-9-26-19)34-23(20)24(28-25)30-11-12-33-15-22(30)32/h2-10,13-14H,11-12,15H2,1H3
InChIKeyDIPRDSAALPEZRV-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.81
Rot. Bonds4

About 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one

4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one (PubChem CID 166738323) has the molecular formula C25H20N6O3 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
PubChem CID166738323
Molecular FormulaC25H20N6O3
Molecular Weight452.47 g/mol
Exact Mass452.16
IUPAC Name4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4=O)c4oc(-c5ccccn5)cc4n3)n2)c1
InChIInChI=1S/C25H20N6O3/c1-16-5-4-6-17(13-16)18-8-10-31(29-18)25-27-20-14-21(19-7-2-3-9-26-19)34-23(20)24(28-25)30-11-12-33-15-22(30)32/h2-10,13-14H,11-12,15H2,1H3
InChIKeyDIPRDSAALPEZRV-UHFFFAOYSA-N
XLogP3.81
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The IUPAC name of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one (CID 166738323) is 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one.
What is the SMILES notation for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The canonical SMILES for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4=O)c4oc(-c5ccccn5)cc4n3)n2)c1.
What is the InChIKey of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?
The InChIKey is DIPRDSAALPEZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3/c1-16-5-4-6-17(13-16)18-8-10-31(29-18)25-27-20-14-21(19-7-2-3-9-26-19)34-23(20)24(28-25)30-11-12-33-15-22(30)32/h2-10,13-14H,11-12,15H2,1H3.
What are the key properties of 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one?
4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one has a molecular weight of 452.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-methylphenyl)pyrazol-1-yl]-6-pyridin-2-ylfuro[3,2-d]pyrimidin-4-yl]morpholin-3-one is sourced from PubChem (CID 166738323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).