2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane

C39H32F2N12O2 — CID 162211691

IUPAC2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane
SMILESC.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C19H13FN6O2.C19H15FN6.CH4/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13;/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26);1H4
InChIKeyZSXRZLHWXDQXJC-UHFFFAOYSA-N
MW738.76 g/mol
LogP7.99
Rot. Bonds7

About 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane

2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane (PubChem CID 162211691) has the molecular formula C39H32F2N12O2 and a molecular weight of 738.76 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane
PubChem CID162211691
Molecular FormulaC39H32F2N12O2
Molecular Weight738.76 g/mol
Exact Mass738.27
IUPAC Name2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane
SMILESC.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1
InChIInChI=1S/C19H13FN6O2.C19H15FN6.CH4/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13;/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26);1H4
InChIKeyZSXRZLHWXDQXJC-UHFFFAOYSA-N
XLogP7.99
TPSA190.26 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.76
LogP ≤ 57.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane (CID 162211691) is 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane is C.Cc1ccc(F)c(-c2nc(Nc3ccnc(C)c3)c3nccnc3n2)c1.Cc1ccc(F)c(-c2nc(Nc3ccncc3C(=O)O)c3nccnc3n2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane?
The InChIKey is ZSXRZLHWXDQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2.C19H15FN6.CH4/c1-10-2-3-13(20)11(8-10)16-25-17-15(22-6-7-23-17)18(26-16)24-14-4-5-21-9-12(14)19(27)28;1-11-3-4-15(20)14(9-11)17-25-18-16(22-7-8-23-18)19(26-17)24-13-5-6-21-12(2)10-13;/h2-9H,1H3,(H,27,28)(H,21,23,24,25,26);3-10H,1-2H3,(H,21,23,24,25,26);1H4.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane?
2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane has a molecular weight of 738.76 g/mol, XLogP of 7.99, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-N-(2-methyl-4-pyridinyl)pteridin-4-amine;4-[[2-(2-fluoro-5-methylphenyl)pteridin-4-yl]amino]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 162211691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).