methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate

C20H15FN6O2 — CID 121391415

IUPACmethyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12
InChIInChI=1S/C20H15FN6O2/c1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2/h3-10H,1-2H3,(H,22,24,25,26,27)
InChIKeyBFDHCQDCCLVHGS-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.46
Rot. Bonds4

About methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate

methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 121391415) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
PubChem CID121391415
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Namemethyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12
InChIInChI=1S/C20H15FN6O2/c1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2/h3-10H,1-2H3,(H,22,24,25,26,27)
InChIKeyBFDHCQDCCLVHGS-UHFFFAOYSA-N
XLogP3.46
TPSA102.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate (CID 121391415) is methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1Nc1nc(-c2cc(C)ccc2F)nc2nccnc12.
What is the InChIKey of methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is BFDHCQDCCLVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c1-11-3-4-14(21)12(9-11)17-26-18-16(23-7-8-24-18)19(27-17)25-15-5-6-22-10-13(15)20(28)29-2/h3-10H,1-2H3,(H,22,24,25,26,27).
What are the key properties of methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate?
methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 390.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 121391415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).