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

C25H22N6O2 — CID 166164628

IUPAC2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C25H22N6O2/c1-17-4-2-5-18(14-17)20-7-9-31(29-20)25-27-21-15-22(19-6-3-8-26-16-19)33-23(21)24(28-25)30-10-12-32-13-11-30/h2-9,14-16H,10-13H2,1H3
InChIKeyMXVQWDZYFCWRAP-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.28
Rot. Bonds4

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

2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine (PubChem CID 166164628) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
PubChem CID166164628
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine
SMILESCc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(-c5cccnc5)cc4n3)n2)c1
InChIInChI=1S/C25H22N6O2/c1-17-4-2-5-18(14-17)20-7-9-31(29-20)25-27-21-15-22(19-6-3-8-26-16-19)33-23(21)24(28-25)30-10-12-32-13-11-30/h2-9,14-16H,10-13H2,1H3
InChIKeyMXVQWDZYFCWRAP-UHFFFAOYSA-N
XLogP4.28
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine 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 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine (CID 166164628) is 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine is Cc1cccc(-c2ccn(-c3nc(N4CCOCC4)c4oc(-c5cccnc5)cc4n3)n2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine?
The InChIKey is MXVQWDZYFCWRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-17-4-2-5-18(14-17)20-7-9-31(29-20)25-27-21-15-22(19-6-3-8-26-16-19)33-23(21)24(28-25)30-10-12-32-13-11-30/h2-9,14-16H,10-13H2,1H3.
What are the key properties of 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine?
2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine has a molecular weight of 438.49 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-yl-6-pyridin-3-ylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 166164628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).