3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide

C28H24FN7O2 — CID 71067020

IUPAC3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(CF)c2)cc1-c1nc2cnc(Nc3cccnc3C)nc2n(C)c1=O
InChIInChI=1S/C28H24FN7O2/c1-16-9-10-20(32-26(37)19-7-4-6-18(12-19)14-29)13-21(16)24-27(38)36(3)25-23(33-24)15-31-28(35-25)34-22-8-5-11-30-17(22)2/h4-13,15H,14H2,1-3H3,(H,32,37)(H,31,34,35)
InChIKeyUETKGGWKTSXQGS-UHFFFAOYSA-N
MW509.55 g/mol
LogP4.87
Rot. Bonds6

About 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide

3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide (PubChem CID 71067020) has the molecular formula C28H24FN7O2 and a molecular weight of 509.55 g/mol. Its IUPAC name is 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide
PubChem CID71067020
Molecular FormulaC28H24FN7O2
Molecular Weight509.55 g/mol
Exact Mass509.20
IUPAC Name3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(CF)c2)cc1-c1nc2cnc(Nc3cccnc3C)nc2n(C)c1=O
InChIInChI=1S/C28H24FN7O2/c1-16-9-10-20(32-26(37)19-7-4-6-18(12-19)14-29)13-21(16)24-27(38)36(3)25-23(33-24)15-31-28(35-25)34-22-8-5-11-30-17(22)2/h4-13,15H,14H2,1-3H3,(H,32,37)(H,31,34,35)
InChIKeyUETKGGWKTSXQGS-UHFFFAOYSA-N
XLogP4.87
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-methyl-3-[8-methyl-2-[(4-methyl-1,2-oxazol-5-yl)amino]-7-oxopteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 11649501
N-[4-methyl-3-[8-methyl-7-oxo-2-(2-pyrrolidin-1-ylethylamino)pteridin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 11563019
N-[3-(2,8-dimethyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;methanamine
CID 143161554
N-[3-(2-chloro-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59723641
N-[3-(2-amino-8-methyl-7-oxopteridin-6-yl)-4-methylphenyl]-3-(4-ethylpiperazin-1-yl)-5-(fluoromethyl)benzamide
CID 71067042
N-[3-[2-[ethyl(morpholin-4-yl)amino]-8-methyl-7-oxopteridin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90824664
N-[5-[[3-(fluoromethyl)benzoyl]amino]-2-methylphenyl]-2-[3-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidine-5-carboxamide
CID 71133390
3-(fluoromethyl)-N-[4-methyl-3-[1-methyl-7-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]benzamide
CID 70927732
3-methyl-N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]benzamide
CID 164756372
N-[4-methyl-3-[7-methyl-2-(methylamino)-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 158809590
N-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]naphthalene-2-carboxamide
CID 159598784
N-[3-(3-amino-11-methyl-4,5,7-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraen-8-yl)-4-methylphenyl]-3-(fluoromethyl)benzamide
CID 70888727

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide?
The IUPAC name of 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide (CID 71067020) is 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide?
The canonical SMILES for 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(CF)c2)cc1-c1nc2cnc(Nc3cccnc3C)nc2n(C)c1=O.
What is the InChIKey of 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide?
The InChIKey is UETKGGWKTSXQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O2/c1-16-9-10-20(32-26(37)19-7-4-6-18(12-19)14-29)13-21(16)24-27(38)36(3)25-23(33-24)15-31-28(35-25)34-22-8-5-11-30-17(22)2/h4-13,15H,14H2,1-3H3,(H,32,37)(H,31,34,35).
What are the key properties of 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide?
3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide has a molecular weight of 509.55 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-N-[4-methyl-3-[8-methyl-2-[(2-methyl-3-pyridinyl)amino]-7-oxopteridin-6-yl]phenyl]benzamide is sourced from PubChem (CID 71067020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).