4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole

C20H26F2N8O — CID 157044895

IUPAC4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc(N3CCC(F)(F)C3)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H20F2N6O.C4H6N2/c1-10-11(2)20-13-12(19-10)14(24-4-3-16(17,18)9-24)22-15(21-13)23-5-7-25-8-6-23;1-6-4-2-3-5-6/h3-9H2,1-2H3;2-4H,1H3
InChIKeyDXGNDEJZVCQCIA-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.14
Rot. Bonds2

About 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole

4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole (PubChem CID 157044895) has the molecular formula C20H26F2N8O and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole.

Molecular Properties

Compound Name4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole
PubChem CID157044895
Molecular FormulaC20H26F2N8O
Molecular Weight432.48 g/mol
Exact Mass432.22
IUPAC Name4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole
SMILESCc1nc2nc(N3CCOCC3)nc(N3CCC(F)(F)C3)c2nc1C.Cn1cccn1
InChIInChI=1S/C16H20F2N6O.C4H6N2/c1-10-11(2)20-13-12(19-10)14(24-4-3-16(17,18)9-24)22-15(21-13)23-5-7-25-8-6-23;1-6-4-2-3-5-6/h3-9H2,1-2H3;2-4H,1H3
InChIKeyDXGNDEJZVCQCIA-UHFFFAOYSA-N
XLogP2.14
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole 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 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole?
The IUPAC name of 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole (CID 157044895) is 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole.
What is the SMILES notation for 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole?
The canonical SMILES for 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole is Cc1nc2nc(N3CCOCC3)nc(N3CCC(F)(F)C3)c2nc1C.Cn1cccn1.
What is the InChIKey of 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole?
The InChIKey is DXGNDEJZVCQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O.C4H6N2/c1-10-11(2)20-13-12(19-10)14(24-4-3-16(17,18)9-24)22-15(21-13)23-5-7-25-8-6-23;1-6-4-2-3-5-6/h3-9H2,1-2H3;2-4H,1H3.
What are the key properties of 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole?
4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole has a molecular weight of 432.48 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3-difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole is sourced from PubChem (CID 157044895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).